| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | L | 91 | Very high | 89.5 | Confident | 86 Ų | 86 | 36.2 Ų | 36.2 | 45% | 0.45 | 19% | 0.193 | S | C | . | . | 0 | 111.3 | 0 | -53.3 | 179 | 0 | 0 | 0 | 109.2 | F8 M9 I10 L91 K93 | L1-F8 HydrophobicContact CB-CE2 4.03Å; L1-F8 HydrophobicContact CB-CZ 4.11Å; L1-F8 HydrophobicContact CD2-CZ 3.89Å; L1-F8 HydrophobicContact CG-CZ 4.47Å; L1-M9 CarbonylContact C-O 3.58Å; L1-M9 VanDerWaalsContact CA-O 3.26Å; L1-M9 WeakPolarHBondContact CA-O 3.2Å; L1-I10 HydrophobicContact CD2-CB 3.92Å; L1-I10 HydrophobicContact CD2-CD1 3.78Å; L1-I10 HydrophobicContact CD2-CG1 3.49Å; L1-I10 VanDerWaalsContact CD2-CG1 3.49Å; L1-I10 HydrophobicContact CD2-CG2 3.62Å; L1-L91 HydrophobicContact CD1-CB 4.46Å; L1-L91 HydrophobicContact CD1-CD2 4.44Å; L1-L91 HydrophobicContact CD2-CB 4.36Å; L1-L91 HydrophobicContact CD2-CD1 4.29Å; L1-K93 HydrophobicContact CB-CD 4.09Å; L1-K93 PolarHBondContact O-NZ 2.86Å | |||
| 2 | E | 90.8 | Very high | 89.3 | Confident | 73 Ų | 73 | 35.7 Ų | 35.7 | 34% | 0.341 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 137.1 | -173.9 | -166.6 | 177 | -179.1 | 0 | 0 | 111.3 | R4 F8 M9 | E2-R4 IonicContact OE1-CZ 3.64Å; E2-R4 IonicContact OE1-NE 3.82Å; E2-R4 PolarHBondContact OE1-NE 3.06Å; E2-R4 VanDerWaalsContact OE1-NE 3.08Å; E2-R4 IonicContact OE1-NH1 3.81Å; E2-R4 IonicContact OE1-NH2 2.73Å; E2-R4 PolarHBondContact OE1-NH2 3.3Å; E2-R4 VanDerWaalsContact OE1-NH2 3.14Å; E2-R4 IonicContact OE2-CZ 3.91Å; E2-R4 IonicContact OE2-NE 2.97Å; E2-R4 PolarHBondContact OE2-NE 3.48Å; E2-R4 IonicContact OE2-NH2 3.9Å; E2-R4 PolarHBondContact OE2-NH2 3.33Å; E2-F8 VanDerWaalsContact O-CD2 3.23Å; E2-F8 WeakPolarHBondContact O-CD2 3.46Å; E2-M9 HydrophobicContact CB-CE 4.49Å; E2-M9 PolarHBondContact N-O 3.09Å; E2-M9 PolarHBondContact O-N 3.34Å |
| 3 | C | 89.7 | Confident | 88.8 | Confident | 43 Ų | 43 | 39.6 Ų | 39.6 | 29% | 0.291 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.1 | 171.5 | -58.8 | 0 | 0 | 0 | 0 | 107.2 | C95 | C3-C95 HydrophobicContact CB-CB 3.73Å; C3-C95 WeakPolarHBondContact CB-SG 3.44Å; C3-C95 WeakPolarHBondContact SG-CA 3.48Å; C3-C95 WeakPolarHBondContact SG-CB 3.33Å; C3-C95 CovalentContact SG-SG 2.03Å; C3-C95 PolarHBondContact SG-SG 2.88Å |
| 4 | R | 87.4 | Confident | 88 | Confident | 40 Ų | 40 | 37.8 Ų | 37.8 | 15% | 0.151 | 20% | 0.203 | C | C | . | . | trans | -101.4 | -177.5 | 175.7 | -62.6 | -70.1 | -172.1 | 153.4 | -8.9 | 109.1 | E2 R6 Y7 Y61 G258 N259 | E2-R4 IonicContact OE1-CZ 3.64Å; E2-R4 IonicContact OE1-NE 3.82Å; E2-R4 PolarHBondContact OE1-NE 3.06Å; E2-R4 VanDerWaalsContact OE1-NE 3.08Å; E2-R4 IonicContact OE1-NH1 3.81Å; E2-R4 IonicContact OE1-NH2 2.73Å; E2-R4 PolarHBondContact OE1-NH2 3.3Å; E2-R4 VanDerWaalsContact OE1-NH2 3.14Å; E2-R4 IonicContact OE2-CZ 3.91Å; E2-R4 IonicContact OE2-NE 2.97Å; E2-R4 PolarHBondContact OE2-NE 3.48Å; E2-R4 IonicContact OE2-NH2 3.9Å; E2-R4 PolarHBondContact OE2-NH2 3.33Å; R4-R6 VanDerWaalsContact C-N 3.27Å; R4-R6 PolarHBondContact O-N 3.16Å; R4-Y7 WeakPolarHBondContact CA-O 3.28Å; R4-Y7 HydrophobicContact CB-CD1 4.04Å; R4-Y7 HydrophobicContact CB-CD2 4.31Å; R4-Y7 HydrophobicContact CB-CE1 3.67Å; R4-Y7 HydrophobicContact CB-CE2 3.99Å; R4-Y7 HydrophobicContact CB-CG 4.33Å; R4-Y7 WeakPolarHBondContact CB-O 3.01Å; R4-Y7 HydrophobicContact CG-CD2 4.47Å; R4-Y7 HydrophobicContact CG-CE1 4.23Å; R4-Y7 HydrophobicContact CG-CE2 3.82Å; R4-Y7 PolarHBondContact N-O 2.94Å; R4-Y61 PolarHBondContact O-OH 3.02Å; R4-G258 PolarHBondContact NH1-O 3.47Å; R4-G258 VanDerWaalsContact NH1-O 3.14Å; R4-N259 PolarHBondContact NH1-OD1 3.25Å | ||
| 5 | D | 81.6 | Confident | 87 | Confident | 55 Ų | 55 | 41.7 Ų | 41.7 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -57 | -38.6 | -171.3 | -68.3 | -22.2 | 0 | 0 | 0 | 113.8 | ||
| 6 | R | 84.8 | Confident | 85.9 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -133.6 | -3 | -172.9 | -60.6 | -61.8 | -178 | -106.7 | 10.6 | 115.3 | R4 Y61 P100 W101 E105 W326 | R4-R6 VanDerWaalsContact C-N 3.27Å; R4-R6 PolarHBondContact O-N 3.16Å; R6-Y61 PolarHBondContact O-N 3.45Å; R6-P100 PolarHBondContact NH2-O 2.84Å; R6-W101 VanDerWaalsContact CD-CH2 3.4Å; R6-W101 HydrophobicContact CG-CZ3 4.49Å; R6-E105 VanDerWaalsContact CD-OE2 3.28Å; R6-E105 WeakPolarHBondContact CD-OE2 3.29Å; R6-E105 IonicContact CZ-OE1 3.54Å; R6-E105 IonicContact CZ-OE2 3.47Å; R6-E105 VanDerWaalsContact NE-CD 3.3Å; R6-E105 IonicContact NE-OE1 3.04Å; R6-E105 PolarHBondContact NE-OE1 3.31Å; R6-E105 VanDerWaalsContact NE-OE1 3.1Å; R6-E105 IonicContact NE-OE2 3.19Å; R6-E105 PolarHBondContact NE-OE2 3.17Å; R6-E105 IonicContact NH2-OE1 3.26Å; R6-E105 PolarHBondContact NH2-OE1 3.46Å; R6-E105 IonicContact NH2-OE2 2.84Å; R6-W326 HydrophobicContact CG-CZ2 3.98Å |
| 7 | Y | 90.9 | Very high | 84.8 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 6% | 0.059 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 157 | -177.8 | 66.1 | -82.8 | 0 | 0 | 0 | 111.1 | R4 M9 R58 A59 Y61 Y310 H328 | R4-Y7 WeakPolarHBondContact CA-O 3.28Å; R4-Y7 HydrophobicContact CB-CD1 4.04Å; R4-Y7 HydrophobicContact CB-CD2 4.31Å; R4-Y7 HydrophobicContact CB-CE1 3.67Å; R4-Y7 HydrophobicContact CB-CE2 3.99Å; R4-Y7 HydrophobicContact CB-CG 4.33Å; R4-Y7 WeakPolarHBondContact CB-O 3.01Å; R4-Y7 HydrophobicContact CG-CD2 4.47Å; R4-Y7 HydrophobicContact CG-CE1 4.23Å; R4-Y7 HydrophobicContact CG-CE2 3.82Å; R4-Y7 PolarHBondContact N-O 2.94Å; Y7-M9 HydrophobicContact CD2-CB 4.11Å; Y7-M9 HydrophobicContact CE2-CB 3.85Å; Y7-R58 HydrophobicContact CD2-CB 4.04Å; Y7-R58 HydrophobicContact CD2-CG 3.85Å; Y7-R58 HydrophobicContact CE2-CG 3.83Å; Y7-A59 CarbonylContact C-O 3.57Å; Y7-A59 VanDerWaalsContact CA-O 3.26Å; Y7-A59 WeakPolarHBondContact CA-O 3.39Å; Y7-A59 WeakPolarHBondContact CB-O 3.47Å; Y7-Y61 WeakPolarHBondContact O-CE1 3.23Å; Y7-Y310 HydrophobicContact CE1-CE2 4.16Å; Y7-H328 AromaticContact CD1-CE1 3.93Å; Y7-H328 AromaticContact CE1-CE1 3.48Å; Y7-H328 VanDerWaalsContact CE1-CE1 3.48Å; Y7-H328 WeakPolarHBondContact CE1-CE1 3.45Å; Y7-H328 AromaticContact CZ-CE1 3.91Å |
| 8 | F | 92.9 | Very high | 83.9 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 138.9 | 170.1 | 169.1 | -113.5 | 0 | 0 | 0 | 109.1 | L1 E2 I10 R58 A59 Y61 F74 F76 K93 | L1-F8 HydrophobicContact CB-CE2 4.03Å; L1-F8 HydrophobicContact CB-CZ 4.11Å; L1-F8 HydrophobicContact CD2-CZ 3.89Å; L1-F8 HydrophobicContact CG-CZ 4.47Å; E2-F8 VanDerWaalsContact O-CD2 3.23Å; E2-F8 WeakPolarHBondContact O-CD2 3.46Å; F8-I10 HydrophobicContact CD1-CG1 4.32Å; F8-I10 HydrophobicContact CE1-CD1 3.75Å; F8-I10 HydrophobicContact CE1-CG1 3.46Å; F8-I10 VanDerWaalsContact CE1-CG1 3.46Å; F8-I10 HydrophobicContact CZ-CD1 4.15Å; F8-I10 HydrophobicContact CZ-CG1 3.68Å; F8-R58 CarbonylContact O-C 3.54Å; F8-R58 WeakPolarHBondContact O-CA 3.28Å; F8-A59 HydrophobicContact CD1-CB 4.44Å; F8-A59 PolarHBondContact N-O 3.23Å; F8-A59 PolarHBondContact O-N 2.83Å; F8-Y61 HydrophobicContact CB-CE1 4.15Å; F8-F74 HydrophobicContact CB-CD1 4.2Å; F8-F74 HydrophobicContact CB-CD2 3.76Å; F8-F74 HydrophobicContact CB-CE1 4.02Å; F8-F74 HydrophobicContact CB-CE2 3.57Å; F8-F74 HydrophobicContact CB-CG 4.08Å; F8-F74 HydrophobicContact CB-CZ 3.72Å; F8-F74 HydrophobicContact CD1-CB 3.83Å; F8-F74 AromaticContact CD1-CD1 3.98Å; F8-F74 HydrophobicContact CD1-CD1 3.98Å; F8-F74 AromaticContact CD1-CD2 3.98Å; F8-F74 HydrophobicContact CD1-CD2 3.98Å; F8-F74 AromaticContact CD1-CG 3.64Å; F8-F74 HydrophobicContact CD1-CG 3.64Å; F8-F74 HydrophobicContact CD2-CD2 4.39Å; F8-F74 HydrophobicContact CE1-CB 3.93Å; F8-F74 HydrophobicContact CE1-CG 4.25Å; F8-F74 HydrophobicContact CG-CB 4.44Å; F8-F74 HydrophobicContact CG-CD1 4.38Å; F8-F74 AromaticContact CG-CD2 3.77Å; F8-F74 HydrophobicContact CG-CD2 3.77Å; F8-F74 HydrophobicContact CG-CE2 4.12Å; F8-F74 AromaticContact CG-CG 3.93Å; F8-F74 HydrophobicContact CG-CG 3.93Å; F8-F76 AromaticContact CD1-CE2 3.78Å; F8-F76 HydrophobicContact CD1-CE2 3.78Å; F8-F76 AromaticContact CE1-CD2 3.93Å; F8-F76 HydrophobicContact CE1-CD2 3.93Å; F8-F76 AromaticContact CE1-CE2 3.64Å; F8-F76 HydrophobicContact CE1-CE2 3.64Å; F8-K93 HydrophobicContact CD2-CB 4.48Å; F8-K93 HydrophobicContact CD2-CD 4.31Å; F8-K93 HydrophobicContact CE2-CB 3.74Å; F8-K93 HydrophobicContact CE2-CD 3.65Å; F8-K93 HydrophobicContact CE2-CG 4.17Å; F8-K93 HydrophobicContact CZ-CB 3.93Å |
| 9 | M | 92.6 | Very high | 83 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 11% | 0.108 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135 | -177.4 | -179.7 | -91.9 | -86.5 | 0 | 0 | 112.2 | L1 E2 Y7 A11 L57 R58 | L1-M9 CarbonylContact C-O 3.58Å; L1-M9 VanDerWaalsContact CA-O 3.26Å; L1-M9 WeakPolarHBondContact CA-O 3.2Å; E2-M9 HydrophobicContact CB-CE 4.49Å; E2-M9 PolarHBondContact N-O 3.09Å; E2-M9 PolarHBondContact O-N 3.34Å; Y7-M9 HydrophobicContact CD2-CB 4.11Å; Y7-M9 HydrophobicContact CE2-CB 3.85Å; M9-A11 HydrophobicContact SD-CB 3.64Å; M9-L57 CarbonylContact C-O 3.54Å; M9-L57 WeakPolarHBondContact CA-O 3.37Å; M9-R58 HydrophobicContact CG-CG 4.35Å |
| 10 | I | 93 | Very high | 82.7 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.6 | 167.8 | -49.9 | -169.7 | 0 | 0 | 0 | 107 | L1 F8 V12 F23 E56 L57 F76 L91 | L1-I10 HydrophobicContact CD2-CB 3.92Å; L1-I10 HydrophobicContact CD2-CD1 3.78Å; L1-I10 HydrophobicContact CD2-CG1 3.49Å; L1-I10 VanDerWaalsContact CD2-CG1 3.49Å; L1-I10 HydrophobicContact CD2-CG2 3.62Å; F8-I10 HydrophobicContact CD1-CG1 4.32Å; F8-I10 HydrophobicContact CE1-CD1 3.75Å; F8-I10 HydrophobicContact CE1-CG1 3.46Å; F8-I10 VanDerWaalsContact CE1-CG1 3.46Å; F8-I10 HydrophobicContact CZ-CD1 4.15Å; F8-I10 HydrophobicContact CZ-CG1 3.68Å; I10-V12 HydrophobicContact CG2-CG2 3.69Å; I10-F23 HydrophobicContact CD1-CE1 4.32Å; I10-F23 HydrophobicContact CG2-CE1 4.07Å; I10-F23 HydrophobicContact CG2-CZ 4.42Å; I10-E56 CarbonylContact O-C 3.52Å; I10-E56 VanDerWaalsContact O-CA 3.27Å; I10-E56 WeakPolarHBondContact O-CA 3.02Å; I10-L57 HydrophobicContact CB-CB 4.27Å; I10-L57 HydrophobicContact CB-CD2 4.39Å; I10-L57 HydrophobicContact CD1-CD2 3.68Å; I10-L57 HydrophobicContact CG1-CD2 3.92Å; I10-L57 PolarHBondContact N-O 3.33Å; I10-L57 PolarHBondContact O-N 3.47Å; I10-F76 HydrophobicContact CD1-CB 4.28Å; I10-F76 HydrophobicContact CD1-CD2 3.74Å; I10-F76 HydrophobicContact CD1-CE2 4.34Å; I10-F76 HydrophobicContact CD1-CG 4.17Å; I10-L91 HydrophobicContact CD1-CB 4.43Å; I10-L91 HydrophobicContact CD1-CD1 3.92Å; I10-L91 HydrophobicContact CG2-CD1 4.03Å |
| 11 | A | 89.9 | Confident | 82.9 | Confident | 41 Ų | 41 | 45.6 Ų | 45.6 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108 | M9 L54 V55 E56 | M9-A11 HydrophobicContact SD-CB 3.64Å; A11-L54 HydrophobicContact CB-CD1 4.32Å; A11-V55 CarbonylContact C-O 3.53Å; A11-V55 VanDerWaalsContact CA-O 3.32Å; A11-V55 WeakPolarHBondContact CA-O 3.39Å; A11-E56 HydrophobicContact CB-CG 4.15Å |
| 12 | V | 87.5 | Confident | 82.8 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 142.7 | -177 | -158.6 | 0 | 0 | 0 | 0 | 110.2 | I10 T17 L54 V55 L78 | I10-V12 HydrophobicContact CG2-CG2 3.69Å; V12-T17 HydrophobicContact CB-CG2 4.17Å; V12-T17 HydrophobicContact CG1-CG2 3.36Å; V12-L54 WeakPolarHBondContact O-CD1 3.4Å; V12-V55 HydrophobicContact CB-CG1 3.85Å; V12-V55 HydrophobicContact CG2-CG1 4.33Å; V12-V55 PolarHBondContact N-O 3.12Å; V12-V55 PolarHBondContact O-N 3.04Å; V12-L78 HydrophobicContact CG1-CD2 4.2Å; V12-L78 HydrophobicContact CG2-CD2 4.12Å |
| 13 | D | 82.3 | Confident | 83 | Confident | 87 Ų | 87 | 43.2 Ų | 43.2 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.7 | 175.8 | -163.5 | -38.4 | 0 | 0 | 0 | 110.7 | A15 A16 T17 G53 | D13-A15 VanDerWaalsContact C-N 3.26Å; D13-A15 PolarHBondContact O-N 3.25Å; D13-A15 WeakPolarHBondContact OD1-CB 3.34Å; D13-A15 PolarHBondContact OD1-N 3.31Å; D13-A16 HydrophobicContact CB-CB 4.44Å; D13-A16 PolarHBondContact O-N 2.95Å; D13-A16 VanDerWaalsContact O-N 3.12Å; D13-T17 PolarHBondContact O-N 3.16Å; D13-T17 PolarHBondContact O-OG1 3.31Å; D13-G53 CarbonylContact C-O 3.59Å; D13-G53 WeakPolarHBondContact CA-O 3.07Å |
| 14 | L | 77.4 | Confident | 83.3 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -30.4 | 176 | -69.7 | 174.7 | 0 | 0 | 0 | 111.6 | A16 T17 G18 P21 I48 G53 V55 | L14-A16 PolarHBondContact O-N 3.29Å; L14-A16 VanDerWaalsContact O-N 3.15Å; L14-T17 WeakPolarHBondContact CA-OG1 3.2Å; L14-T17 PolarHBondContact O-N 3.17Å; L14-G18 WeakPolarHBondContact CD2-O 3.41Å; L14-G18 PolarHBondContact O-N 3.38Å; L14-P21 VanDerWaalsContact CD2-CD 3.47Å; L14-P21 HydrophobicContact CD2-CG 3.63Å; L14-I48 HydrophobicContact CD1-CG2 4.35Å; L14-G53 PolarHBondContact N-O 2.89Å; L14-V55 HydrophobicContact CD2-CB 4.17Å; L14-V55 HydrophobicContact CD2-CG1 4.43Å |
| 15 | A | 73.6 | Confident | 83.6 | Confident | 97 Ų | 97 | 41.2 Ų | 41.2 | 80% | 0.802 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -60.4 | -26.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D13 | D13-A15 VanDerWaalsContact C-N 3.26Å; D13-A15 PolarHBondContact O-N 3.25Å; D13-A15 WeakPolarHBondContact OD1-CB 3.34Å; D13-A15 PolarHBondContact OD1-N 3.31Å |
| 16 | A | 68.9 | Low | 84.2 | Confident | 71 Ų | 71 | 40 Ų | 40 | 59% | 0.587 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -91.8 | -13.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D13 L14 | D13-A16 HydrophobicContact CB-CB 4.44Å; D13-A16 PolarHBondContact O-N 2.95Å; D13-A16 VanDerWaalsContact O-N 3.12Å; L14-A16 PolarHBondContact O-N 3.29Å; L14-A16 VanDerWaalsContact O-N 3.15Å |
| 17 | T | 67 | Low | 84.5 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -124.9 | -5.1 | -167.9 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | V12 D13 L14 L78 T80 | V12-T17 HydrophobicContact CB-CG2 4.17Å; V12-T17 HydrophobicContact CG1-CG2 3.36Å; D13-T17 PolarHBondContact O-N 3.16Å; D13-T17 PolarHBondContact O-OG1 3.31Å; L14-T17 WeakPolarHBondContact CA-OG1 3.2Å; L14-T17 PolarHBondContact O-N 3.17Å; T17-L78 HydrophobicContact CG2-CD2 3.91Å; T17-T80 HydrophobicContact CG2-CG2 3.62Å; T17-T80 WeakPolarHBondContact O-CA 3.24Å; T17-T80 WeakPolarHBondContact O-CB 3.13Å |
| 18 | G | 68.9 | Low | 84.2 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | trans | 77.9 | 176.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L14 V20 | L14-G18 WeakPolarHBondContact CD2-O 3.41Å; L14-G18 PolarHBondContact O-N 3.38Å; G18-V20 VanDerWaalsContact C-N 3.29Å; G18-V20 PolarHBondContact O-N 2.88Å | ||
| 19 | D | 67.4 | Low | 84 | Confident | 140 Ų | 140 | 47.9 Ų | 47.9 | 75% | 0.749 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -72.1 | -19.4 | -167.9 | -62.1 | -37.2 | 0 | 0 | 0 | 114.5 | ||
| 20 | V | 76.4 | Confident | 84 | Confident | 93 Ų | 93 | 48.1 Ų | 48.1 | 56% | 0.564 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -140.5 | 71.6 | -175.3 | -165.3 | 0 | 0 | 0 | 0 | 111.5 | G18 | G18-V20 VanDerWaalsContact C-N 3.29Å; G18-V20 PolarHBondContact O-N 2.88Å |
| 21 | P | 86.1 | Confident | 84 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 4% | 0.039 | 34% | 0.335 | C | S | . | . | trans | -64.6 | 141.3 | 172.9 | 26 | -32.6 | 0 | 0 | 0 | 110.9 | L14 V55 L78 I79 | L14-P21 VanDerWaalsContact CD2-CD 3.47Å; L14-P21 HydrophobicContact CD2-CG 3.63Å; P21-V55 HydrophobicContact CB-CG1 4.36Å; P21-V55 HydrophobicContact CG-CB 3.87Å; P21-V55 HydrophobicContact CG-CG1 3.65Å; P21-V55 HydrophobicContact CG-CG2 4.02Å; P21-L78 HydrophobicContact CB-CD1 3.78Å; P21-I79 WeakPolarHBondContact CA-O 3.09Å | ||
| 22 | R | 90.5 | Very high | 84.2 | Confident | 106 Ų | 106 | 53.1 Ų | 53.1 | 40% | 0.4 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 148 | 175.7 | -55 | -177.1 | -67.1 | -99.7 | 2.3 | 109.9 | I79 T81 D86 | R22-I79 HydrophobicContact CB-CB 4.24Å; R22-I79 PolarHBondContact N-O 2.96Å; R22-I79 PolarHBondContact O-N 3.34Å; R22-T81 PolarHBondContact NH1-OG1 3.12Å; R22-D86 IonicContact NH2-OD1 2.85Å; R22-D86 PolarHBondContact NH2-OD1 2.91Å; R22-D86 IonicContact NH2-OD2 3.14Å; R22-D86 PolarHBondContact NH2-OD2 3.33Å |
| 23 | F | 93.9 | Very high | 84.6 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.6 | 175.6 | -68.2 | -89.3 | 0 | 0 | 0 | 110.7 | I10 I34 I46 V55 L57 N77 L78 | I10-F23 HydrophobicContact CD1-CE1 4.32Å; I10-F23 HydrophobicContact CG2-CE1 4.07Å; I10-F23 HydrophobicContact CG2-CZ 4.42Å; F23-I34 HydrophobicContact CB-CB 4.43Å; F23-I34 HydrophobicContact CB-CD1 3.99Å; F23-I34 HydrophobicContact CB-CG1 4.48Å; F23-I34 WeakPolarHBondContact O-CB 3.33Å; F23-I34 PolarHBondContact O-N 3Å; F23-I46 HydrophobicContact CD2-CD1 4.25Å; F23-V55 HydrophobicContact CE2-CG1 4.38Å; F23-V55 HydrophobicContact CE2-CG2 3.81Å; F23-V55 HydrophobicContact CZ-CG1 4.29Å; F23-V55 HydrophobicContact CZ-CG2 4.43Å; F23-L57 HydrophobicContact CB-CD1 4.11Å; F23-L57 HydrophobicContact CD1-CB 4.45Å; F23-L57 HydrophobicContact CD1-CD1 4.5Å; F23-L57 HydrophobicContact CD1-CD2 4.31Å; F23-L57 HydrophobicContact CD2-CB 4.35Å; F23-L57 HydrophobicContact CD2-CD1 4.28Å; F23-L57 HydrophobicContact CE1-CB 4.27Å; F23-L57 HydrophobicContact CE2-CB 4.17Å; F23-L57 HydrophobicContact CG-CB 4.48Å; F23-L57 HydrophobicContact CG-CD1 4.05Å; F23-L57 HydrophobicContact CZ-CB 4.13Å; F23-N77 CarbonylContact C-O 3.51Å; F23-N77 WeakPolarHBondContact CA-O 3.36Å; F23-L78 HydrophobicContact CD1-CB 4.45Å; F23-L78 HydrophobicContact CD1-CD1 4.27Å; F23-L78 HydrophobicContact CE1-CB 4.24Å; F23-L78 HydrophobicContact CE1-CD1 3.76Å; F23-L78 HydrophobicContact CE2-CD1 4.25Å; F23-L78 HydrophobicContact CZ-CD1 3.75Å |
| 24 | E | 95.6 | Very high | 85.2 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 19% | 0.192 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 139.8 | 166 | -52.6 | 178 | 137.2 | 0 | 0 | 109.1 | T31 Y32 F76 N77 I79 | E24-T31 HydrophobicContact CB-CG2 3.64Å; E24-T31 VanDerWaalsContact CD-CG2 3.49Å; E24-T31 HydrophobicContact CG-CG2 4.15Å; E24-T31 WeakPolarHBondContact OE2-CG2 3.37Å; E24-Y32 CarbonylContact C-O 3.55Å; E24-Y32 WeakPolarHBondContact CA-O 3.43Å; E24-F76 CarbonylContact O-C 3.58Å; E24-F76 WeakPolarHBondContact O-CA 3.48Å; E24-F76 WeakPolarHBondContact O-CB 3.37Å; E24-F76 WeakPolarHBondContact O-CD1 3.5Å; E24-N77 HydrophobicContact CB-CB 4.16Å; E24-N77 PolarHBondContact N-O 3.29Å; E24-N77 PolarHBondContact O-N 3.1Å; E24-N77 PolarHBondContact OE2-ND2 2.78Å; E24-N77 VanDerWaalsContact OE2-ND2 3.12Å; E24-I79 VanDerWaalsContact CD-CD1 3.5Å; E24-I79 HydrophobicContact CG-CD1 3.73Å; E24-I79 HydrophobicContact CG-CG1 4.43Å |
| 25 | A | 95.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 142.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110 | T31 Y32 I34 Y44 H65 F76 | A25-T31 CarbonylContact O-C 3.5Å; A25-T31 WeakPolarHBondContact O-CA 3.32Å; A25-Y32 PolarHBondContact N-O 2.72Å; A25-Y32 PolarHBondContact O-N 2.55Å; A25-I34 HydrophobicContact CB-CD1 4.06Å; A25-I34 HydrophobicContact CB-CG1 4.21Å; A25-Y44 HydrophobicContact CB-CE2 4.48Å; A25-H65 HydrophobicContact CB-CB 3.85Å; A25-H65 WeakPolarHBondContact CB-CD2 3.38Å; A25-F76 HydrophobicContact CB-CD1 4.11Å; A25-F76 HydrophobicContact CB-CE1 4Å |
| 26 | V | 93.8 | Very high | 86.5 | Confident | 30 Ų | 30 | 57.4 Ų | 57.4 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131 | -177.7 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | G30 T31 R75 | V26-G30 WeakPolarHBondContact CA-O 3.48Å; V26-T31 HydrophobicContact CG2-CG2 4.1Å; V26-R75 HydrophobicContact CB-CB 4.04Å; V26-R75 PolarHBondContact N-O 2.81Å; V26-R75 WeakPolarHBondContact O-CB 3.05Å |
| 27 | D | 90.7 | Very high | 87.3 | Confident | 31 Ų | 31 | 59.9 Ų | 59.9 | 17% | 0.166 | 35% | 0.35 | C | S | . | . | trans | -138.5 | -171.5 | 172.3 | 67.5 | 21.1 | 0 | 0 | 0 | 111.4 | T29 G30 Y32 H65 | D27-T29 VanDerWaalsContact CG-OG1 3.3Å; D27-T29 PolarHBondContact O-N 2.91Å; D27-T29 WeakPolarHBondContact OD1-CA 3.4Å; D27-T29 WeakPolarHBondContact OD1-CB 3.33Å; D27-T29 PolarHBondContact OD1-N 3.14Å; D27-T29 PolarHBondContact OD1-OG1 2.78Å; D27-T29 PolarHBondContact OD2-OG1 3.32Å; D27-G30 PolarHBondContact N-O 3.25Å; D27-G30 PolarHBondContact O-N 3.45Å; D27-G30 PolarHBondContact OD1-N 3.11Å; D27-Y32 WeakPolarHBondContact OD1-CE2 3.43Å; D27-H65 HydrophobicContact CB-CB 4.18Å; D27-H65 IonicContact OD2-CE1 3.74Å; D27-H65 IonicContact OD2-CG 3.12Å; D27-H65 IonicContact OD2-ND1 3.94Å; D27-H65 PolarHBondContact OD2-ND1 3.48Å | ||
| 28 | G | 84.8 | Confident | 88.5 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -66.6 | -12.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 29 | T | 88.2 | Confident | 89.7 | Confident | 92 Ų | 92 | 62.1 Ų | 62.1 | 56% | 0.564 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -101.4 | -20.6 | -178.8 | 60.7 | 0 | 0 | 0 | 0 | 113.5 | D27 Y32 | D27-T29 VanDerWaalsContact CG-OG1 3.3Å; D27-T29 PolarHBondContact O-N 2.91Å; D27-T29 WeakPolarHBondContact OD1-CA 3.4Å; D27-T29 WeakPolarHBondContact OD1-CB 3.33Å; D27-T29 PolarHBondContact OD1-N 3.14Å; D27-T29 PolarHBondContact OD1-OG1 2.78Å; D27-T29 PolarHBondContact OD2-OG1 3.32Å; T29-Y32 PolarHBondContact OG1-OH 2.9Å |
| 30 | G | 91.8 | Very high | 91 | Very high | 27 Ų | 27 | 55.7 Ų | 55.7 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | trans | 160.1 | -152.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V26 D27 | V26-G30 WeakPolarHBondContact CA-O 3.48Å; D27-G30 PolarHBondContact N-O 3.25Å; D27-G30 PolarHBondContact O-N 3.45Å; D27-G30 PolarHBondContact OD1-N 3.11Å | ||
| 31 | T | 93.4 | Very high | 91.7 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.7 | 179.3 | -57.9 | 0 | 0 | 0 | 0 | 109.1 | E24 A25 V26 | E24-T31 HydrophobicContact CB-CG2 3.64Å; E24-T31 VanDerWaalsContact CD-CG2 3.49Å; E24-T31 HydrophobicContact CG-CG2 4.15Å; E24-T31 WeakPolarHBondContact OE2-CG2 3.37Å; A25-T31 CarbonylContact O-C 3.5Å; A25-T31 WeakPolarHBondContact O-CA 3.32Å; V26-T31 HydrophobicContact CG2-CG2 4.1Å |
| 32 | Y | 95.4 | Very high | 92 | Very high | 74 Ų | 74 | 54.7 Ų | 54.7 | 29% | 0.29 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 117.9 | -168.1 | -60.1 | -90.4 | 0 | 0 | 0 | 110.3 | E24 A25 D27 T29 I34 H65 | E24-Y32 CarbonylContact C-O 3.55Å; E24-Y32 WeakPolarHBondContact CA-O 3.43Å; A25-Y32 PolarHBondContact N-O 2.72Å; A25-Y32 PolarHBondContact O-N 2.55Å; D27-Y32 WeakPolarHBondContact OD1-CE2 3.43Å; T29-Y32 PolarHBondContact OG1-OH 2.9Å; Y32-I34 PolarHBondContact O-N 3.1Å; Y32-H65 AromaticContact CD1-CE1 3.81Å; Y32-H65 AromaticContact CD2-CE1 3.11Å; Y32-H65 WeakPolarHBondContact CD2-CE1 3.38Å; Y32-H65 AromaticContact CD2-ND1 3.5Å; Y32-H65 WeakPolarHBondContact CD2-ND1 3.45Å; Y32-H65 AromaticContact CD2-NE2 3.69Å; Y32-H65 AromaticContact CE2-CE1 3.47Å; Y32-H65 VanDerWaalsContact CE2-CE1 3.47Å; Y32-H65 WeakPolarHBondContact CE2-CE1 3.38Å; Y32-H65 AromaticContact CE2-ND1 3.72Å; Y32-H65 AromaticContact CG-CE1 3.31Å; Y32-H65 AromaticContact CG-NE2 3.53Å; Y32-H65 AromaticContact CZ-CE1 3.96Å |
| 33 | A | 94.3 | Very high | 92.2 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 128.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T35 Y38 | A33-T35 PolarHBondContact O-N 2.93Å; A33-T35 VanDerWaalsContact O-N 3.16Å; A33-Y38 WeakPolarHBondContact O-CD1 3.43Å |
| 34 | I | 94.8 | Very high | 92.3 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | trans | -87.9 | 83.4 | 177.2 | -52.3 | 179 | 0 | 0 | 0 | 108.1 | F23 A25 Y32 A39 Y44 I46 L57 F76 | F23-I34 HydrophobicContact CB-CB 4.43Å; F23-I34 HydrophobicContact CB-CD1 3.99Å; F23-I34 HydrophobicContact CB-CG1 4.48Å; F23-I34 WeakPolarHBondContact O-CB 3.33Å; F23-I34 PolarHBondContact O-N 3Å; A25-I34 HydrophobicContact CB-CD1 4.06Å; A25-I34 HydrophobicContact CB-CG1 4.21Å; Y32-I34 PolarHBondContact O-N 3.1Å; I34-A39 HydrophobicContact CG2-CB 3.75Å; I34-Y44 HydrophobicContact CD1-CD1 4.39Å; I34-Y44 HydrophobicContact CD1-CD2 4.19Å; I34-Y44 HydrophobicContact CD1-CE2 4.39Å; I34-Y44 HydrophobicContact CD1-CG 4.19Å; I34-Y44 HydrophobicContact CG1-CD2 4.37Å; I34-Y44 HydrophobicContact CG2-CD2 3.99Å; I34-Y44 HydrophobicContact CG2-CG 4.13Å; I34-I46 HydrophobicContact CB-CD1 4.13Å; I34-I46 HydrophobicContact CG2-CD1 3.68Å; I34-I46 HydrophobicContact CG2-CG1 4.44Å; I34-L57 HydrophobicContact CD1-CD1 3.9Å; I34-F76 HydrophobicContact CD1-CD1 3.76Å; I34-F76 HydrophobicContact CD1-CE1 3.6Å | ||
| 35 | T | 92.4 | Very high | 92.3 | Very high | 79 Ų | 79 | 47.6 Ų | 47.6 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | trans | -77.6 | 165.8 | 170.2 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | A33 D37 Y38 A39 | A33-T35 PolarHBondContact O-N 2.93Å; A33-T35 VanDerWaalsContact O-N 3.16Å; T35-D37 PolarHBondContact O-N 2.92Å; T35-Y38 PolarHBondContact O-N 2.78Å; T35-Y38 VanDerWaalsContact OG1-CB 3.24Å; T35-Y38 WeakPolarHBondContact OG1-CB 3.43Å; T35-Y38 PolarHBondContact OG1-N 2.92Å; T35-A39 WeakPolarHBondContact O-CB 3.42Å; T35-A39 PolarHBondContact O-N 3.05Å | ||
| 36 | E | 86.6 | Confident | 92.1 | Very high | 171 Ų | 171 | 50.2 Ų | 50.2 | 80% | 0.799 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -55.2 | -50.1 | 179.7 | -170.1 | 172.9 | -174.3 | 0 | 0 | 112.7 | Y38 A39 A40 | E36-Y38 PolarHBondContact O-N 3.3Å; E36-A39 WeakPolarHBondContact O-CB 3.22Å; E36-A39 PolarHBondContact O-N 2.89Å; E36-A40 PolarHBondContact O-N 2.89Å |
| 37 | D | 86.2 | Confident | 91.7 | Very high | 122 Ų | 122 | 49.8 Ų | 49.8 | 65% | 0.652 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64 | -39.7 | 176.9 | -68.4 | -26.6 | 0 | 0 | 0 | 112.8 | T35 A39 K41 | T35-D37 PolarHBondContact O-N 2.92Å; D37-A39 VanDerWaalsContact C-N 3.34Å; D37-K41 WeakPolarHBondContact O-CG 3.36Å |
| 38 | Y | 92.6 | Very high | 91.4 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 26% | 0.259 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -71.3 | -35 | -179.4 | -168.3 | -112.4 | 0 | 0 | 0 | 111.2 | A33 T35 E36 K41 C42 H65 | A33-Y38 WeakPolarHBondContact O-CD1 3.43Å; T35-Y38 PolarHBondContact O-N 2.78Å; T35-Y38 VanDerWaalsContact OG1-CB 3.24Å; T35-Y38 WeakPolarHBondContact OG1-CB 3.43Å; T35-Y38 PolarHBondContact OG1-N 2.92Å; E36-Y38 PolarHBondContact O-N 3.3Å; Y38-K41 PolarHBondContact O-N 3.27Å; Y38-C42 HydrophobicContact CD1-CB 4.49Å; Y38-C42 HydrophobicContact CE1-CB 4.21Å; Y38-C42 WeakPolarHBondContact O-CB 3.27Å; Y38-C42 PolarHBondContact O-N 2.79Å; Y38-H65 AromaticContact CE1-NE2 3.49Å; Y38-H65 WeakPolarHBondContact CE1-NE2 3.4Å; Y38-H65 AromaticContact CZ-NE2 3.49Å; Y38-H65 PolarHBondContact OH-CE1 3.37Å; Y38-H65 PolarHBondContact OH-NE2 2.88Å |
| 39 | A | 94.1 | Very high | 91 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -53.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I34 T35 E36 D37 K41 C42 G43 Y44 | I34-A39 HydrophobicContact CG2-CB 3.75Å; T35-A39 WeakPolarHBondContact O-CB 3.42Å; T35-A39 PolarHBondContact O-N 3.05Å; E36-A39 WeakPolarHBondContact O-CB 3.22Å; E36-A39 PolarHBondContact O-N 2.89Å; D37-A39 VanDerWaalsContact C-N 3.34Å; A39-K41 PolarHBondContact O-N 3.15Å; A39-C42 CarbonylContact O-C 3.4Å; A39-C42 PolarHBondContact O-N 3.04Å; A39-C42 VanDerWaalsContact O-N 3.16Å; A39-G43 PolarHBondContact O-N 3.02Å; A39-Y44 CarbonylContact C-O 3.55Å; A39-Y44 WeakPolarHBondContact CB-O 3.46Å; A39-Y44 PolarHBondContact O-N 3.25Å; A39-Y44 VanDerWaalsContact O-O 3.1Å |
| 40 | A | 93.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E36 C42 N111 Y112 R181 P183 | E36-A40 PolarHBondContact O-N 2.89Å; A40-C42 VanDerWaalsContact C-N 3.34Å; A40-C42 PolarHBondContact O-N 3.16Å; A40-N111 HydrophobicContact CB-CB 4.41Å; A40-N111 WeakPolarHBondContact CB-O 3.49Å; A40-Y112 WeakPolarHBondContact O-CB 3.41Å; A40-R181 WeakPolarHBondContact O-CD 3.44Å; A40-P183 HydrophobicContact CB-CB 3.93Å; A40-P183 HydrophobicContact CB-CG 3.87Å |
| 41 | K | 91.9 | Very high | 88.8 | Confident | 72 Ų | 72 | 50 Ų | 50 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 176.6 | -68.1 | 176.9 | -176.3 | -178.1 | 0 | 111.5 | D37 Y38 A39 I170 R181 P183 | D37-K41 WeakPolarHBondContact O-CG 3.36Å; Y38-K41 PolarHBondContact O-N 3.27Å; A39-K41 PolarHBondContact O-N 3.15Å; K41-I170 HydrophobicContact CB-CG1 4.41Å; K41-I170 WeakPolarHBondContact O-CG1 3.42Å; K41-R181 WeakPolarHBondContact O-CD 3.47Å; K41-R181 PolarHBondContact O-NH1 3.1Å; K41-P183 HydrophobicContact CG-CG 4.08Å |
| 42 | C | 93.1 | Very high | 87.6 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -96.3 | 7.1 | -173.3 | -83.1 | 0 | 0 | 0 | 0 | 116.2 | Y38 A39 A40 Y44 S63 C64 R181 | Y38-C42 HydrophobicContact CD1-CB 4.49Å; Y38-C42 HydrophobicContact CE1-CB 4.21Å; Y38-C42 WeakPolarHBondContact O-CB 3.27Å; Y38-C42 PolarHBondContact O-N 2.79Å; A39-C42 CarbonylContact O-C 3.4Å; A39-C42 PolarHBondContact O-N 3.04Å; A39-C42 VanDerWaalsContact O-N 3.16Å; A40-C42 VanDerWaalsContact C-N 3.34Å; A40-C42 PolarHBondContact O-N 3.16Å; C42-Y44 HydrophobicContact CB-CD2 3.75Å; C42-Y44 HydrophobicContact CB-CE2 3.53Å; C42-S63 CarbonylContact O-C 3.56Å; C42-S63 WeakPolarHBondContact O-CA 3.45Å; C42-S63 WeakPolarHBondContact O-CB 3.4Å; C42-C64 WeakPolarHBondContact CA-SG 3.45Å; C42-C64 HydrophobicContact CB-CB 3.58Å; C42-C64 WeakPolarHBondContact CB-SG 3.26Å; C42-C64 PolarHBondContact O-N 3.1Å; C42-C64 WeakPolarHBondContact SG-CB 3.32Å; C42-C64 CovalentContact SG-SG 2.05Å; C42-C64 PolarHBondContact SG-SG 3.3Å; C42-R181 VanDerWaalsContact C-NH1 3.27Å; C42-R181 PolarHBondContact O-NH1 2.91Å |
| 43 | G | 94.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 36.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | A39 A59 S60 R181 | A39-G43 PolarHBondContact O-N 3.02Å; G43-A59 WeakPolarHBondContact O-CA 3.38Å; G43-S60 PolarHBondContact O-N 2.96Å; G43-R181 VanDerWaalsContact CA-NE 3.28Å |
| 44 | Y | 96.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 147 | 172.8 | -51 | -66.3 | 0 | 0 | 0 | 110.2 | A25 I34 A39 C42 R58 A59 S63 H65 F76 N111 | A25-Y44 HydrophobicContact CB-CE2 4.48Å; I34-Y44 HydrophobicContact CD1-CD1 4.39Å; I34-Y44 HydrophobicContact CD1-CD2 4.19Å; I34-Y44 HydrophobicContact CD1-CE2 4.39Å; I34-Y44 HydrophobicContact CD1-CG 4.19Å; I34-Y44 HydrophobicContact CG1-CD2 4.37Å; I34-Y44 HydrophobicContact CG2-CD2 3.99Å; I34-Y44 HydrophobicContact CG2-CG 4.13Å; A39-Y44 CarbonylContact C-O 3.55Å; A39-Y44 WeakPolarHBondContact CB-O 3.46Å; A39-Y44 PolarHBondContact O-N 3.25Å; A39-Y44 VanDerWaalsContact O-O 3.1Å; C42-Y44 HydrophobicContact CB-CD2 3.75Å; C42-Y44 HydrophobicContact CB-CE2 3.53Å; Y44-R58 CarbonylContact C-O 3.3Å; Y44-R58 VanDerWaalsContact CA-O 3.3Å; Y44-R58 WeakPolarHBondContact CA-O 3.46Å; Y44-A59 HydrophobicContact CD1-CB 3.62Å; Y44-A59 HydrophobicContact CE1-CB 3.78Å; Y44-S63 VanDerWaalsContact CE1-CB 3.41Å; Y44-S63 WeakPolarHBondContact CE1-OG 3.29Å; Y44-S63 PolarHBondContact OH-OG 2.75Å; Y44-H65 WeakPolarHBondContact OH-CB 3.39Å; Y44-H65 PolarHBondContact OH-CD2 2.87Å; Y44-H65 PolarHBondContact OH-N 2.9Å; Y44-F76 HydrophobicContact CD1-CE1 4.17Å; Y44-F76 HydrophobicContact CD1-CZ 4.21Å; Y44-F76 AromaticContact CE1-CE1 3.71Å; Y44-F76 HydrophobicContact CE1-CE1 3.71Å; Y44-F76 AromaticContact CE1-CZ 3.7Å; Y44-F76 HydrophobicContact CE1-CZ 3.7Å; Y44-N111 PolarHBondContact O-ND2 3.19Å |
| 45 | S | 94.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.7 | 170.3 | 162.2 | 0 | 0 | 0 | 0 | 108.2 | L57 R58 V110 | S45-L57 CarbonylContact O-C 3.54Å; S45-L57 WeakPolarHBondContact O-CA 2.99Å; S45-R58 PolarHBondContact N-O 2.01Å; S45-R58 PolarHBondContact O-N 3.49Å; S45-V110 WeakPolarHBondContact OG-CG2 3.44Å |
| 46 | I | 91.3 | Very high | 85.5 | Confident | 55 Ų | 55 | 41.9 Ų | 41.9 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.9 | 174.6 | -60.7 | 168.8 | 0 | 0 | 0 | 107.7 | F23 I34 I48 V55 E56 L57 | F23-I46 HydrophobicContact CD2-CD1 4.25Å; I34-I46 HydrophobicContact CB-CD1 4.13Å; I34-I46 HydrophobicContact CG2-CD1 3.68Å; I34-I46 HydrophobicContact CG2-CG1 4.44Å; I46-I48 HydrophobicContact CG2-CG1 4.08Å; I46-V55 HydrophobicContact CG2-CG2 4.23Å; I46-E56 CarbonylContact C-O 3.58Å; I46-E56 WeakPolarHBondContact CA-O 2.98Å; I46-L57 HydrophobicContact CD1-CD1 4.02Å; I46-L57 HydrophobicContact CG1-CD1 3.53Å |
| 47 | S | 86.7 | Confident | 85.8 | Confident | 21 Ų | 21 | 33.7 Ų | 33.7 | 15% | 0.147 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 112.6 | 172.2 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | V55 E56 | S47-V55 WeakPolarHBondContact O-CA 3.43Å; S47-E56 PolarHBondContact N-O 3.01Å; S47-E56 PolarHBondContact O-N 2.83Å |
| 48 | I | 82.8 | Confident | 86.1 | Confident | 71 Ų | 71 | 28.5 Ų | 28.5 | 36% | 0.364 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 103 | 173.5 | -54.8 | 176.4 | 0 | 0 | 0 | 107 | L14 I46 S50 V55 | L14-I48 HydrophobicContact CD1-CG2 4.35Å; I46-I48 HydrophobicContact CG2-CG1 4.08Å; I48-S50 VanDerWaalsContact C-N 3.33Å; I48-S50 PolarHBondContact O-N 2.79Å; I48-V55 HydrophobicContact CG1-CG2 4.05Å |
| 49 | L | 76.7 | Confident | 86.3 | Confident | 15 Ų | 15 | 25.4 Ų | 25.4 | 8% | 0.079 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 68.7 | 177.8 | -60.2 | 167.4 | 0 | 0 | 0 | 108.2 | L51 L52 G53 L54 I306 | L49-L51 PolarHBondContact O-N 2.81Å; L49-L51 VanDerWaalsContact O-N 3.07Å; L49-L52 HydrophobicContact CB-CB 4.08Å; L49-L52 HydrophobicContact CB-CD1 3.93Å; L49-L52 HydrophobicContact CB-CG 4.26Å; L49-L52 HydrophobicContact CD1-CD1 3.94Å; L49-L52 HydrophobicContact CG-CD1 4.36Å; L49-L52 WeakPolarHBondContact O-CA 3.18Å; L49-L52 PolarHBondContact O-N 2.82Å; L49-G53 PolarHBondContact O-N 2.81Å; L49-L54 CarbonylContact C-O 3.53Å; L49-L54 WeakPolarHBondContact CA-O 2.96Å; L49-L54 WeakPolarHBondContact CB-O 3.41Å; L49-L54 PolarHBondContact N-O 2.91Å; L49-L54 PolarHBondContact O-N 2.83Å; L49-I306 HydrophobicContact CD2-CD1 4.48Å |
| 50 | S | 71.2 | Confident | 86.3 | Confident | 72 Ų | 72 | 25.4 Ų | 25.4 | 50% | 0.503 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -49.7 | -39.4 | -174.9 | -53.6 | 0 | 0 | 0 | 0 | 112.7 | I48 L52 G53 | I48-S50 VanDerWaalsContact C-N 3.33Å; I48-S50 PolarHBondContact O-N 2.79Å; S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.2Å; S50-G53 PolarHBondContact O-N 2.81Å |
| 51 | L | 64.2 | Low | 86.2 | Confident | 75 Ų | 75 | 25.1 Ų | 25.1 | 39% | 0.393 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -66.5 | -26.8 | -179.6 | -69.2 | 156.5 | 0 | 0 | 0 | 113.6 | L49 K294 F304 | L49-L51 PolarHBondContact O-N 2.81Å; L49-L51 VanDerWaalsContact O-N 3.07Å; L51-K294 HydrophobicContact CB-CD 4.04Å; L51-K294 HydrophobicContact CB-CG 4.02Å; L51-K294 HydrophobicContact CD2-CD 4.4Å; L51-K294 HydrophobicContact CD2-CG 4.04Å; L51-K294 HydrophobicContact CG-CG 4.48Å; L51-K294 WeakPolarHBondContact O-CD 3.41Å; L51-K294 VanDerWaalsContact O-CE 3.3Å; L51-K294 WeakPolarHBondContact O-CE 3.33Å; L51-K294 PolarHBondContact O-NZ 2.84Å; L51-F304 HydrophobicContact CD1-CE2 3.95Å; L51-F304 HydrophobicContact CD1-CZ 3.49Å; L51-F304 VanDerWaalsContact CD1-CZ 3.49Å; L51-F304 HydrophobicContact CG-CZ 4.45Å |
| 52 | L | 67.1 | Low | 86.1 | Confident | 49 Ų | 49 | 21.9 Ų | 21.9 | 26% | 0.257 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -96.9 | -4.3 | 179.3 | -58.7 | 175.7 | 0 | 0 | 0 | 112.7 | L49 S50 L54 Y292 I306 | L49-L52 HydrophobicContact CB-CB 4.08Å; L49-L52 HydrophobicContact CB-CD1 3.93Å; L49-L52 HydrophobicContact CB-CG 4.26Å; L49-L52 HydrophobicContact CD1-CD1 3.94Å; L49-L52 HydrophobicContact CG-CD1 4.36Å; L49-L52 WeakPolarHBondContact O-CA 3.18Å; L49-L52 PolarHBondContact O-N 2.82Å; S50-L52 VanDerWaalsContact C-N 3.26Å; S50-L52 PolarHBondContact O-N 3.2Å; L52-L54 HydrophobicContact CB-CB 4.44Å; L52-L54 PolarHBondContact O-N 2.8Å; L52-Y292 HydrophobicContact CD1-CD1 3.44Å; L52-Y292 VanDerWaalsContact CD1-CD1 3.44Å; L52-Y292 HydrophobicContact CD1-CD2 3.77Å; L52-Y292 HydrophobicContact CD1-CE1 4.05Å; L52-Y292 HydrophobicContact CD1-CE2 4.35Å; L52-Y292 HydrophobicContact CD1-CG 3.26Å; L52-Y292 HydrophobicContact CD2-CD1 4.06Å; L52-Y292 HydrophobicContact CD2-CG 4.15Å; L52-Y292 HydrophobicContact CG-CD1 4.27Å; L52-Y292 HydrophobicContact CG-CG 4.32Å; L52-I306 HydrophobicContact CD1-CD1 4.45Å |
| 53 | G | 72.5 | Confident | 86.1 | Confident | 22 Ų | 22 | 21.6 Ų | 21.6 | 23% | 0.227 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 30.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D13 L14 L49 S50 | D13-G53 CarbonylContact C-O 3.59Å; D13-G53 WeakPolarHBondContact CA-O 3.07Å; L14-G53 PolarHBondContact N-O 2.89Å; L49-G53 PolarHBondContact O-N 2.81Å; S50-G53 PolarHBondContact O-N 2.81Å |
| 54 | L | 82 | Confident | 85.9 | Confident | 37 Ų | 37 | 23.7 Ų | 23.7 | 19% | 0.194 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.3 | -176.2 | -168.3 | 76.3 | 0 | 0 | 0 | 110.9 | A11 V12 L49 L52 E56 | A11-L54 HydrophobicContact CB-CD1 4.32Å; V12-L54 WeakPolarHBondContact O-CD1 3.4Å; L49-L54 CarbonylContact C-O 3.53Å; L49-L54 WeakPolarHBondContact CA-O 2.96Å; L49-L54 WeakPolarHBondContact CB-O 3.41Å; L49-L54 PolarHBondContact N-O 2.91Å; L49-L54 PolarHBondContact O-N 2.83Å; L52-L54 HydrophobicContact CB-CB 4.44Å; L52-L54 PolarHBondContact O-N 2.8Å; L54-E56 HydrophobicContact CD2-CG 3.75Å; L54-E56 WeakPolarHBondContact CD2-OE1 3.44Å; L54-E56 HydrophobicContact CG-CG 4.16Å |
| 55 | V | 87.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.4 | 163.5 | 64.2 | 0 | 0 | 0 | 0 | 109.8 | A11 V12 L14 P21 F23 I46 S47 I48 | A11-V55 CarbonylContact C-O 3.53Å; A11-V55 VanDerWaalsContact CA-O 3.32Å; A11-V55 WeakPolarHBondContact CA-O 3.39Å; V12-V55 HydrophobicContact CB-CG1 3.85Å; V12-V55 HydrophobicContact CG2-CG1 4.33Å; V12-V55 PolarHBondContact N-O 3.12Å; V12-V55 PolarHBondContact O-N 3.04Å; L14-V55 HydrophobicContact CD2-CB 4.17Å; L14-V55 HydrophobicContact CD2-CG1 4.43Å; P21-V55 HydrophobicContact CB-CG1 4.36Å; P21-V55 HydrophobicContact CG-CB 3.87Å; P21-V55 HydrophobicContact CG-CG1 3.65Å; P21-V55 HydrophobicContact CG-CG2 4.02Å; F23-V55 HydrophobicContact CE2-CG1 4.38Å; F23-V55 HydrophobicContact CE2-CG2 3.81Å; F23-V55 HydrophobicContact CZ-CG1 4.29Å; F23-V55 HydrophobicContact CZ-CG2 4.43Å; I46-V55 HydrophobicContact CG2-CG2 4.23Å; S47-V55 WeakPolarHBondContact O-CA 3.43Å; I48-V55 HydrophobicContact CG1-CG2 4.05Å |
| 56 | E | 89.9 | Confident | 85.6 | Confident | 16 Ų | 16 | 24.7 Ų | 24.7 | 8% | 0.075 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.1 | 175.2 | -63.3 | -170 | 157.1 | 0 | 0 | 110.9 | I10 A11 I46 S47 L54 R58 | I10-E56 CarbonylContact O-C 3.52Å; I10-E56 VanDerWaalsContact O-CA 3.27Å; I10-E56 WeakPolarHBondContact O-CA 3.02Å; A11-E56 HydrophobicContact CB-CG 4.15Å; I46-E56 CarbonylContact C-O 3.58Å; I46-E56 WeakPolarHBondContact CA-O 2.98Å; S47-E56 PolarHBondContact N-O 3.01Å; S47-E56 PolarHBondContact O-N 2.83Å; L54-E56 HydrophobicContact CD2-CG 3.75Å; L54-E56 WeakPolarHBondContact CD2-OE1 3.44Å; L54-E56 HydrophobicContact CG-CG 4.16Å; E56-R58 IonicContact OE2-NH1 2.66Å |
| 57 | L | 93.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.6 | 166.2 | 171.6 | 109.3 | 0 | 0 | 0 | 108.4 | M9 I10 F23 I34 S45 I46 F76 | M9-L57 CarbonylContact C-O 3.54Å; M9-L57 WeakPolarHBondContact CA-O 3.37Å; I10-L57 HydrophobicContact CB-CB 4.27Å; I10-L57 HydrophobicContact CB-CD2 4.39Å; I10-L57 HydrophobicContact CD1-CD2 3.68Å; I10-L57 HydrophobicContact CG1-CD2 3.92Å; I10-L57 PolarHBondContact N-O 3.33Å; I10-L57 PolarHBondContact O-N 3.47Å; F23-L57 HydrophobicContact CB-CD1 4.11Å; F23-L57 HydrophobicContact CD1-CB 4.45Å; F23-L57 HydrophobicContact CD1-CD1 4.5Å; F23-L57 HydrophobicContact CD1-CD2 4.31Å; F23-L57 HydrophobicContact CD2-CB 4.35Å; F23-L57 HydrophobicContact CD2-CD1 4.28Å; F23-L57 HydrophobicContact CE1-CB 4.27Å; F23-L57 HydrophobicContact CE2-CB 4.17Å; F23-L57 HydrophobicContact CG-CB 4.48Å; F23-L57 HydrophobicContact CG-CD1 4.05Å; F23-L57 HydrophobicContact CZ-CB 4.13Å; I34-L57 HydrophobicContact CD1-CD1 3.9Å; S45-L57 CarbonylContact O-C 3.54Å; S45-L57 WeakPolarHBondContact O-CA 2.99Å; I46-L57 HydrophobicContact CD1-CD1 4.02Å; I46-L57 HydrophobicContact CG1-CD1 3.53Å; L57-F76 HydrophobicContact CD2-CD1 4.13Å; L57-F76 HydrophobicContact CD2-CD2 4.29Å; L57-F76 HydrophobicContact CD2-CE1 3.92Å; L57-F76 HydrophobicContact CD2-CE2 4.04Å; L57-F76 HydrophobicContact CD2-CG 4.31Å; L57-F76 HydrophobicContact CD2-CZ 3.87Å |
| 58 | R | 93.6 | Very high | 85.1 | Confident | 13 Ų | 13 | 27.2 Ų | 27.2 | 5% | 0.049 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.9 | 167.7 | -66.2 | -172.2 | -68.5 | -86.6 | 2.4 | 109.6 | Y7 F8 M9 Y44 S45 E56 E109 | Y7-R58 HydrophobicContact CD2-CB 4.04Å; Y7-R58 HydrophobicContact CD2-CG 3.85Å; Y7-R58 HydrophobicContact CE2-CG 3.83Å; F8-R58 CarbonylContact O-C 3.54Å; F8-R58 WeakPolarHBondContact O-CA 3.28Å; M9-R58 HydrophobicContact CG-CG 4.35Å; Y44-R58 CarbonylContact C-O 3.3Å; Y44-R58 VanDerWaalsContact CA-O 3.3Å; Y44-R58 WeakPolarHBondContact CA-O 3.46Å; S45-R58 PolarHBondContact N-O 2.01Å; S45-R58 PolarHBondContact O-N 3.49Å; E56-R58 IonicContact OE2-NH1 2.66Å; R58-E109 IonicContact CZ-OE1 3.1Å; R58-E109 IonicContact CZ-OE2 3.81Å; R58-E109 IonicContact NE-OE1 3.7Å; R58-E109 PolarHBondContact NE-OE1 3.05Å; R58-E109 IonicContact NE-OE2 2.71Å; R58-E109 PolarHBondContact NE-OE2 2.9Å; R58-E109 IonicContact NH2-OE1 3.35Å; R58-E109 PolarHBondContact NH2-OE1 2.96Å; R58-E109 IonicContact NH2-OE2 2.79Å |
| 59 | A | 95.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 124.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y7 F8 G43 Y44 F74 F76 | Y7-A59 CarbonylContact C-O 3.57Å; Y7-A59 VanDerWaalsContact CA-O 3.26Å; Y7-A59 WeakPolarHBondContact CA-O 3.39Å; Y7-A59 WeakPolarHBondContact CB-O 3.47Å; F8-A59 HydrophobicContact CD1-CB 4.44Å; F8-A59 PolarHBondContact N-O 3.23Å; F8-A59 PolarHBondContact O-N 2.83Å; G43-A59 WeakPolarHBondContact O-CA 3.38Å; Y44-A59 HydrophobicContact CD1-CB 3.62Å; Y44-A59 HydrophobicContact CE1-CB 3.78Å; A59-F74 HydrophobicContact CB-CD1 4.21Å; A59-F74 HydrophobicContact CB-CE1 4.08Å; A59-F76 HydrophobicContact CB-CE2 4.47Å; A59-F76 HydrophobicContact CB-CZ 3.92Å |
| 60 | S | 93.8 | Very high | 84.7 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 145.9 | 169.6 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | G43 F62 S63 E114 | G43-S60 PolarHBondContact O-N 2.96Å; S60-F62 PolarHBondContact O-N 2.83Å; S60-F62 VanDerWaalsContact O-N 3.17Å; S60-F62 PolarHBondContact OG-N 3.09Å; S60-S63 WeakPolarHBondContact O-CB 3.39Å; S60-S63 PolarHBondContact O-N 3.1Å; S60-S63 PolarHBondContact O-OG 2.85Å; S60-E114 PolarHBondContact OG-OE1 3.16Å; S60-E114 PolarHBondContact OG-OE2 3.14Å |
| 61 | Y | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.9 | 169.4 | -73.8 | 6.2 | 0 | 0 | 0 | 112.7 | R4 R6 Y7 F8 F72 F74 C95 W101 | R4-Y61 PolarHBondContact O-OH 3.02Å; R6-Y61 PolarHBondContact O-N 3.45Å; Y7-Y61 WeakPolarHBondContact O-CE1 3.23Å; F8-Y61 HydrophobicContact CB-CE1 4.15Å; Y61-F72 AromaticContact CD2-CD2 3.73Å; Y61-F72 HydrophobicContact CD2-CD2 3.73Å; Y61-F72 AromaticContact CD2-CE2 3.93Å; Y61-F72 HydrophobicContact CD2-CE2 3.93Å; Y61-F72 HydrophobicContact CD2-CG 4.3Å; Y61-F72 HydrophobicContact CE2-CD2 4.35Å; Y61-F72 HydrophobicContact CG-CD2 4.07Å; Y61-F72 HydrophobicContact CG-CE2 4.44Å; Y61-F72 HydrophobicContact CG-CG 4.17Å; Y61-F72 WeakPolarHBondContact O-CD1 3.21Å; Y61-F72 VanDerWaalsContact O-CE1 3.32Å; Y61-F72 WeakPolarHBondContact O-CE1 3.39Å; Y61-F74 HydrophobicContact CD1-CE2 4.04Å; Y61-F74 AromaticContact CD1-CZ 3.54Å; Y61-F74 HydrophobicContact CD1-CZ 3.54Å; Y61-F74 HydrophobicContact CE1-CE2 4.06Å; Y61-F74 HydrophobicContact CE1-CZ 4Å; Y61-F74 HydrophobicContact CG-CZ 4.4Å; Y61-C95 HydrophobicContact CE1-CB 4.14Å; Y61-W101 HydrophobicContact CD2-CZ2 4.08Å |
| 62 | F | 90.6 | Very high | 86.5 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 13.4 | 173.5 | -53 | -60.2 | 0 | 0 | 0 | 113.5 | S60 F72 W101 V174 V179 R181 | S60-F62 PolarHBondContact O-N 2.83Å; S60-F62 VanDerWaalsContact O-N 3.17Å; S60-F62 PolarHBondContact OG-N 3.09Å; F62-F72 HydrophobicContact CD1-CE1 4.48Å; F62-F72 HydrophobicContact CE1-CE1 4.39Å; F62-F72 HydrophobicContact CE1-CZ 4.39Å; F62-W101 HydrophobicContact CD2-CH2 4.29Å; F62-W101 HydrophobicContact CE2-CE3 4.22Å; F62-W101 AromaticContact CE2-CH2 3.35Å; F62-W101 HydrophobicContact CE2-CH2 3.35Å; F62-W101 AromaticContact CE2-CZ2 3.98Å; F62-W101 HydrophobicContact CE2-CZ2 3.98Å; F62-W101 AromaticContact CE2-CZ3 3.48Å; F62-W101 HydrophobicContact CE2-CZ3 3.48Å; F62-W101 VanDerWaalsContact CE2-CZ3 3.48Å; F62-W101 HydrophobicContact CZ-CD2 4.35Å; F62-W101 HydrophobicContact CZ-CE3 4.23Å; F62-W101 AromaticContact CZ-CH2 3.59Å; F62-W101 HydrophobicContact CZ-CH2 3.59Å; F62-W101 AromaticContact CZ-CZ2 3.71Å; F62-W101 HydrophobicContact CZ-CZ2 3.71Å; F62-W101 AromaticContact CZ-CZ3 3.85Å; F62-W101 HydrophobicContact CZ-CZ3 3.85Å; F62-V174 HydrophobicContact CD1-CB 4.04Å; F62-V174 HydrophobicContact CD1-CG1 4Å; F62-V174 HydrophobicContact CD1-CG2 4.12Å; F62-V174 HydrophobicContact CE1-CB 4.18Å; F62-V174 HydrophobicContact CE1-CG1 4.03Å; F62-V179 HydrophobicContact CB-CG1 4.06Å; F62-V179 HydrophobicContact CB-CG2 4.17Å; F62-V179 HydrophobicContact CD1-CG2 3.9Å; F62-V179 HydrophobicContact CD2-CG1 4.27Å; F62-V179 HydrophobicContact CD2-CG2 3.87Å; F62-V179 HydrophobicContact CE1-CG2 4.24Å; F62-V179 HydrophobicContact CE2-CG2 4.19Å; F62-V179 HydrophobicContact CG-CG1 4.3Å; F62-V179 HydrophobicContact CG-CG2 3.71Å; F62-V179 HydrophobicContact CZ-CG2 4.37Å; F62-R181 VanDerWaalsContact C-NH2 3.26Å; F62-R181 PolarHBondContact O-NH2 3.41Å |
| 63 | S | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -60.9 | 154 | 179.7 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | C42 Y44 S60 H65 T66 | C42-S63 CarbonylContact O-C 3.56Å; C42-S63 WeakPolarHBondContact O-CA 3.45Å; C42-S63 WeakPolarHBondContact O-CB 3.4Å; Y44-S63 VanDerWaalsContact CE1-CB 3.41Å; Y44-S63 WeakPolarHBondContact CE1-OG 3.29Å; Y44-S63 PolarHBondContact OH-OG 2.75Å; S60-S63 WeakPolarHBondContact O-CB 3.39Å; S60-S63 PolarHBondContact O-N 3.1Å; S60-S63 PolarHBondContact O-OG 2.85Å; S63-H65 VanDerWaalsContact C-N 3.31Å; S63-H65 PolarHBondContact O-N 2.81Å; S63-T66 WeakPolarHBondContact O-CB 3.47Å; S63-T66 PolarHBondContact O-N 3.04Å; S63-T66 VanDerWaalsContact O-N 3.15Å; S63-T66 PolarHBondContact O-OG1 2.83Å; S63-T66 PolarHBondContact OG-OG1 2.04Å | ||
| 64 | C | 91.5 | Very high | 88.7 | Confident | 43 Ų | 43 | 23 Ų | 23 | 29% | 0.291 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -44.7 | -168.4 | -73.9 | 0 | 0 | 0 | 0 | 113.9 | C42 | C42-C64 WeakPolarHBondContact CA-SG 3.45Å; C42-C64 HydrophobicContact CB-CB 3.58Å; C42-C64 WeakPolarHBondContact CB-SG 3.26Å; C42-C64 PolarHBondContact O-N 3.1Å; C42-C64 WeakPolarHBondContact SG-CB 3.32Å; C42-C64 CovalentContact SG-SG 2.05Å; C42-C64 PolarHBondContact SG-SG 3.3Å |
| 65 | H | 92.5 | Very high | 89.4 | Confident | 14 Ų | 14 | 26.3 Ų | 26.3 | 7% | 0.065 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 15.4 | -172.1 | -55.3 | -68.6 | 0 | 0 | 0 | 113.5 | A25 D27 Y32 Y38 Y44 S63 E67 | A25-H65 HydrophobicContact CB-CB 3.85Å; A25-H65 WeakPolarHBondContact CB-CD2 3.38Å; D27-H65 HydrophobicContact CB-CB 4.18Å; D27-H65 IonicContact OD2-CE1 3.74Å; D27-H65 IonicContact OD2-CG 3.12Å; D27-H65 IonicContact OD2-ND1 3.94Å; D27-H65 PolarHBondContact OD2-ND1 3.48Å; Y32-H65 AromaticContact CD1-CE1 3.81Å; Y32-H65 AromaticContact CD2-CE1 3.11Å; Y32-H65 WeakPolarHBondContact CD2-CE1 3.38Å; Y32-H65 AromaticContact CD2-ND1 3.5Å; Y32-H65 WeakPolarHBondContact CD2-ND1 3.45Å; Y32-H65 AromaticContact CD2-NE2 3.69Å; Y32-H65 AromaticContact CE2-CE1 3.47Å; Y32-H65 VanDerWaalsContact CE2-CE1 3.47Å; Y32-H65 WeakPolarHBondContact CE2-CE1 3.38Å; Y32-H65 AromaticContact CE2-ND1 3.72Å; Y32-H65 AromaticContact CG-CE1 3.31Å; Y32-H65 AromaticContact CG-NE2 3.53Å; Y32-H65 AromaticContact CZ-CE1 3.96Å; Y38-H65 AromaticContact CE1-NE2 3.49Å; Y38-H65 WeakPolarHBondContact CE1-NE2 3.4Å; Y38-H65 AromaticContact CZ-NE2 3.49Å; Y38-H65 PolarHBondContact OH-CE1 3.37Å; Y38-H65 PolarHBondContact OH-NE2 2.88Å; Y44-H65 WeakPolarHBondContact OH-CB 3.39Å; Y44-H65 PolarHBondContact OH-CD2 2.87Å; Y44-H65 PolarHBondContact OH-N 2.9Å; S63-H65 VanDerWaalsContact C-N 3.31Å; S63-H65 PolarHBondContact O-N 2.81Å; H65-E67 PolarHBondContact O-N 2.84Å |
| 66 | T | 90.2 | Very high | 89.8 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | trans | -75.9 | 123.9 | 174.8 | -58.3 | 0 | 0 | 0 | 0 | 109.8 | S63 K68 F72 F74 | S63-T66 WeakPolarHBondContact O-CB 3.47Å; S63-T66 PolarHBondContact O-N 3.04Å; S63-T66 VanDerWaalsContact O-N 3.15Å; S63-T66 PolarHBondContact O-OG1 2.83Å; S63-T66 PolarHBondContact OG-OG1 2.04Å; T66-K68 HydrophobicContact CG2-CG 4.39Å; T66-K68 WeakPolarHBondContact O-CG 3.4Å; T66-K68 PolarHBondContact O-N 2.92Å; T66-F72 HydrophobicContact CG2-CB 3.75Å; T66-F72 HydrophobicContact CG2-CD1 3.85Å; T66-F72 HydrophobicContact CG2-CG 4.3Å; T66-F74 HydrophobicContact CG2-CD1 4.37Å; T66-F74 HydrophobicContact CG2-CE1 3.91Å; T66-F74 HydrophobicContact CG2-CZ 3.97Å; T66-F74 WeakPolarHBondContact OG1-CE1 3.35Å | ||
| 67 | E | 88.1 | Confident | 90 | Very high | 60 Ų | 60 | 27.4 Ų | 27.4 | 28% | 0.28 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 113.2 | 170.6 | -69.9 | 175.7 | 176.9 | 0 | 0 | 108.9 | H65 G69 S73 R75 | H65-E67 PolarHBondContact O-N 2.84Å; E67-G69 PolarHBondContact O-N 3.45Å; E67-S73 PolarHBondContact N-O 3.4Å; E67-S73 PolarHBondContact O-N 2.76Å; E67-R75 VanDerWaalsContact CD-NH2 3.33Å; E67-R75 IonicContact OE1-CZ 3.94Å; E67-R75 IonicContact OE1-NE 3.89Å; E67-R75 IonicContact OE1-NH1 2.82Å; E67-R75 PolarHBondContact OE1-NH1 3.46Å; E67-R75 IonicContact OE1-NH2 2.79Å; E67-R75 PolarHBondContact OE1-NH2 2.8Å; E67-R75 VanDerWaalsContact OE1-NH2 3.14Å; E67-R75 IonicContact OE2-CZ 3.46Å; E67-R75 VanDerWaalsContact OE2-CZ 3.26Å; E67-R75 IonicContact OE2-NE 2.83Å; E67-R75 IonicContact OE2-NH1 3.03Å; E67-R75 IonicContact OE2-NH2 3.22Å; E67-R75 PolarHBondContact OE2-NH2 3.37Å |
| 68 | K | 80.7 | Confident | 89.9 | Confident | 69 Ų | 69 | 27.7 Ų | 27.7 | 30% | 0.3 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 71.9 | -170.7 | -64.9 | 150.3 | -177 | 174.6 | 0 | 110.7 | T66 F72 D172 V174 | T66-K68 HydrophobicContact CG2-CG 4.39Å; T66-K68 WeakPolarHBondContact O-CG 3.4Å; T66-K68 PolarHBondContact O-N 2.92Å; K68-F72 HydrophobicContact CG-CD1 4.22Å; K68-F72 HydrophobicContact CG-CE1 4.28Å; K68-D172 IonicContact NZ-OD2 3.37Å; K68-V174 HydrophobicContact CB-CG1 4.42Å; K68-V174 HydrophobicContact CD-CB 4.45Å; K68-V174 HydrophobicContact CD-CG1 3.78Å; K68-V174 HydrophobicContact CD-CG2 3.79Å; K68-V174 HydrophobicContact CG-CG1 4.09Å |
| 69 | G | 76.6 | Confident | 89.7 | Confident | 46 Ų | 46 | 27.4 Ų | 27.4 | 47% | 0.474 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -95.8 | -133.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E67 G71 | E67-G69 PolarHBondContact O-N 3.45Å; G69-G71 PolarHBondContact N-O 2.85Å; G69-G71 VanDerWaalsContact N-O 3.09Å; G69-G71 PolarHBondContact O-N 3.4Å; G69-G71 VanDerWaalsContact O-N 3.11Å |
| 70 | A | 73.3 | Confident | 89.3 | Confident | 123 Ų | 123 | 27.7 Ų | 27.7 | 100% | 1.017 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -64.6 | -9.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 71 | G | 83.5 | Confident | 88.7 | Confident | 12 Ų | 12 | 29.7 Ų | 29.7 | 12% | 0.124 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -158.6 | -171.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | G69 | G69-G71 PolarHBondContact N-O 2.85Å; G69-G71 VanDerWaalsContact N-O 3.09Å; G69-G71 PolarHBondContact O-N 3.4Å; G69-G71 VanDerWaalsContact O-N 3.11Å |
| 72 | F | 89.4 | Confident | 87.7 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 108.7 | -178.7 | -61.4 | -81.2 | 0 | 0 | 0 | 109.6 | Y61 F62 T66 K68 F74 T94 C95 | Y61-F72 AromaticContact CD2-CD2 3.73Å; Y61-F72 HydrophobicContact CD2-CD2 3.73Å; Y61-F72 AromaticContact CD2-CE2 3.93Å; Y61-F72 HydrophobicContact CD2-CE2 3.93Å; Y61-F72 HydrophobicContact CD2-CG 4.3Å; Y61-F72 HydrophobicContact CE2-CD2 4.35Å; Y61-F72 HydrophobicContact CG-CD2 4.07Å; Y61-F72 HydrophobicContact CG-CE2 4.44Å; Y61-F72 HydrophobicContact CG-CG 4.17Å; Y61-F72 WeakPolarHBondContact O-CD1 3.21Å; Y61-F72 VanDerWaalsContact O-CE1 3.32Å; Y61-F72 WeakPolarHBondContact O-CE1 3.39Å; F62-F72 HydrophobicContact CD1-CE1 4.48Å; F62-F72 HydrophobicContact CE1-CE1 4.39Å; F62-F72 HydrophobicContact CE1-CZ 4.39Å; T66-F72 HydrophobicContact CG2-CB 3.75Å; T66-F72 HydrophobicContact CG2-CD1 3.85Å; T66-F72 HydrophobicContact CG2-CG 4.3Å; K68-F72 HydrophobicContact CG-CD1 4.22Å; K68-F72 HydrophobicContact CG-CE1 4.28Å; F72-F74 HydrophobicContact CB-CE2 3.76Å; F72-F74 HydrophobicContact CB-CZ 3.98Å; F72-F74 WeakPolarHBondContact O-CE2 3.34Å; F72-T94 CarbonylContact O-C 3.52Å; F72-T94 WeakPolarHBondContact O-CA 3.34Å; F72-C95 PolarHBondContact N-O 2.64Å; F72-C95 PolarHBondContact O-N 3.07Å |
| 73 | S | 92.3 | Very high | 86.8 | Confident | 24 Ų | 24 | 45.5 Ų | 45.5 | 17% | 0.168 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.7 | 178.3 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | E67 T94 | E67-S73 PolarHBondContact N-O 3.4Å; E67-S73 PolarHBondContact O-N 2.76Å; S73-T94 VanDerWaalsContact OG-CG2 3.25Å; S73-T94 WeakPolarHBondContact OG-CG2 3.41Å; S73-T94 PolarHBondContact OG-OG1 3.14Å |
| 74 | F | 94.8 | Very high | 85.9 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134 | 179.5 | -59.8 | -85.4 | 0 | 0 | 0 | 110 | F8 A59 Y61 T66 F72 F76 N92 K93 C95 | F8-F74 HydrophobicContact CB-CD1 4.2Å; F8-F74 HydrophobicContact CB-CD2 3.76Å; F8-F74 HydrophobicContact CB-CE1 4.02Å; F8-F74 HydrophobicContact CB-CE2 3.57Å; F8-F74 HydrophobicContact CB-CG 4.08Å; F8-F74 HydrophobicContact CB-CZ 3.72Å; F8-F74 HydrophobicContact CD1-CB 3.83Å; F8-F74 AromaticContact CD1-CD1 3.98Å; F8-F74 HydrophobicContact CD1-CD1 3.98Å; F8-F74 AromaticContact CD1-CD2 3.98Å; F8-F74 HydrophobicContact CD1-CD2 3.98Å; F8-F74 AromaticContact CD1-CG 3.64Å; F8-F74 HydrophobicContact CD1-CG 3.64Å; F8-F74 HydrophobicContact CD2-CD2 4.39Å; F8-F74 HydrophobicContact CE1-CB 3.93Å; F8-F74 HydrophobicContact CE1-CG 4.25Å; F8-F74 HydrophobicContact CG-CB 4.44Å; F8-F74 HydrophobicContact CG-CD1 4.38Å; F8-F74 AromaticContact CG-CD2 3.77Å; F8-F74 HydrophobicContact CG-CD2 3.77Å; F8-F74 HydrophobicContact CG-CE2 4.12Å; F8-F74 AromaticContact CG-CG 3.93Å; F8-F74 HydrophobicContact CG-CG 3.93Å; A59-F74 HydrophobicContact CB-CD1 4.21Å; A59-F74 HydrophobicContact CB-CE1 4.08Å; Y61-F74 HydrophobicContact CD1-CE2 4.04Å; Y61-F74 AromaticContact CD1-CZ 3.54Å; Y61-F74 HydrophobicContact CD1-CZ 3.54Å; Y61-F74 HydrophobicContact CE1-CE2 4.06Å; Y61-F74 HydrophobicContact CE1-CZ 4Å; Y61-F74 HydrophobicContact CG-CZ 4.4Å; T66-F74 HydrophobicContact CG2-CD1 4.37Å; T66-F74 HydrophobicContact CG2-CE1 3.91Å; T66-F74 HydrophobicContact CG2-CZ 3.97Å; T66-F74 WeakPolarHBondContact OG1-CE1 3.35Å; F72-F74 HydrophobicContact CB-CE2 3.76Å; F72-F74 HydrophobicContact CB-CZ 3.98Å; F72-F74 WeakPolarHBondContact O-CE2 3.34Å; F74-F76 HydrophobicContact CB-CD2 4.22Å; F74-F76 HydrophobicContact CB-CE2 3.69Å; F74-F76 HydrophobicContact CD1-CE2 4.08Å; F74-F76 HydrophobicContact CD1-CZ 4.29Å; F74-F76 HydrophobicContact CG-CE2 4.27Å; F74-N92 VanDerWaalsContact O-CA 3.26Å; F74-N92 WeakPolarHBondContact O-CA 3.47Å; F74-K93 PolarHBondContact N-O 3.02Å; F74-K93 PolarHBondContact O-N 3.16Å; F74-C95 HydrophobicContact CE2-CB 4.19Å |
| 75 | R | 95.4 | Very high | 85.3 | Confident | 107 Ų | 107 | 51.8 Ų | 51.8 | 40% | 0.404 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 126 | 173.1 | -57.8 | 178.1 | -175.2 | 157.9 | 8.8 | 108.7 | V26 E67 L91 N92 | V26-R75 HydrophobicContact CB-CB 4.04Å; V26-R75 PolarHBondContact N-O 2.81Å; V26-R75 WeakPolarHBondContact O-CB 3.05Å; E67-R75 VanDerWaalsContact CD-NH2 3.33Å; E67-R75 IonicContact OE1-CZ 3.94Å; E67-R75 IonicContact OE1-NE 3.89Å; E67-R75 IonicContact OE1-NH1 2.82Å; E67-R75 PolarHBondContact OE1-NH1 3.46Å; E67-R75 IonicContact OE1-NH2 2.79Å; E67-R75 PolarHBondContact OE1-NH2 2.8Å; E67-R75 VanDerWaalsContact OE1-NH2 3.14Å; E67-R75 IonicContact OE2-CZ 3.46Å; E67-R75 VanDerWaalsContact OE2-CZ 3.26Å; E67-R75 IonicContact OE2-NE 2.83Å; E67-R75 IonicContact OE2-NH1 3.03Å; E67-R75 IonicContact OE2-NH2 3.22Å; E67-R75 PolarHBondContact OE2-NH2 3.37Å; R75-L91 CarbonylContact C-O 3.48Å; R75-L91 WeakPolarHBondContact CA-O 3.34Å; R75-N92 HydrophobicContact CG-CB 4.21Å |
| 76 | F | 96.1 | Very high | 85 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 148.6 | -179.5 | -63.4 | -80.4 | 0 | 0 | 0 | 110.5 | F8 I10 E24 A25 I34 Y44 L57 A59 F74 L91 | F8-F76 AromaticContact CD1-CE2 3.78Å; F8-F76 HydrophobicContact CD1-CE2 3.78Å; F8-F76 AromaticContact CE1-CD2 3.93Å; F8-F76 HydrophobicContact CE1-CD2 3.93Å; F8-F76 AromaticContact CE1-CE2 3.64Å; F8-F76 HydrophobicContact CE1-CE2 3.64Å; I10-F76 HydrophobicContact CD1-CB 4.28Å; I10-F76 HydrophobicContact CD1-CD2 3.74Å; I10-F76 HydrophobicContact CD1-CE2 4.34Å; I10-F76 HydrophobicContact CD1-CG 4.17Å; E24-F76 CarbonylContact O-C 3.58Å; E24-F76 WeakPolarHBondContact O-CA 3.48Å; E24-F76 WeakPolarHBondContact O-CB 3.37Å; E24-F76 WeakPolarHBondContact O-CD1 3.5Å; A25-F76 HydrophobicContact CB-CD1 4.11Å; A25-F76 HydrophobicContact CB-CE1 4Å; I34-F76 HydrophobicContact CD1-CD1 3.76Å; I34-F76 HydrophobicContact CD1-CE1 3.6Å; Y44-F76 HydrophobicContact CD1-CE1 4.17Å; Y44-F76 HydrophobicContact CD1-CZ 4.21Å; Y44-F76 AromaticContact CE1-CE1 3.71Å; Y44-F76 HydrophobicContact CE1-CE1 3.71Å; Y44-F76 AromaticContact CE1-CZ 3.7Å; Y44-F76 HydrophobicContact CE1-CZ 3.7Å; L57-F76 HydrophobicContact CD2-CD1 4.13Å; L57-F76 HydrophobicContact CD2-CD2 4.29Å; L57-F76 HydrophobicContact CD2-CE1 3.92Å; L57-F76 HydrophobicContact CD2-CE2 4.04Å; L57-F76 HydrophobicContact CD2-CG 4.31Å; L57-F76 HydrophobicContact CD2-CZ 3.87Å; A59-F76 HydrophobicContact CB-CE2 4.47Å; A59-F76 HydrophobicContact CB-CZ 3.92Å; F74-F76 HydrophobicContact CB-CD2 4.22Å; F74-F76 HydrophobicContact CB-CE2 3.69Å; F74-F76 HydrophobicContact CD1-CE2 4.08Å; F74-F76 HydrophobicContact CD1-CZ 4.29Å; F74-F76 HydrophobicContact CG-CE2 4.27Å; F76-L91 HydrophobicContact CB-CB 4.44Å; F76-L91 PolarHBondContact N-O 2.84Å; F76-L91 PolarHBondContact O-N 2.74Å |
| 77 | N | 93.9 | Very high | 84.8 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 19% | 0.187 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.5 | 160.3 | -59.2 | -32.9 | 0 | 0 | 0 | 108.1 | F23 E24 Y89 | F23-N77 CarbonylContact C-O 3.51Å; F23-N77 WeakPolarHBondContact CA-O 3.36Å; E24-N77 HydrophobicContact CB-CB 4.16Å; E24-N77 PolarHBondContact N-O 3.29Å; E24-N77 PolarHBondContact O-N 3.1Å; E24-N77 PolarHBondContact OE2-ND2 2.78Å; E24-N77 VanDerWaalsContact OE2-ND2 3.12Å; N77-Y89 WeakPolarHBondContact CA-O 3.43Å |
| 78 | L | 92.2 | Very high | 84.8 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 120.2 | 164.8 | 167.6 | 67.7 | 0 | 0 | 0 | 108 | V12 T17 P21 F23 T80 Y88 Y89 L91 | V12-L78 HydrophobicContact CG1-CD2 4.2Å; V12-L78 HydrophobicContact CG2-CD2 4.12Å; T17-L78 HydrophobicContact CG2-CD2 3.91Å; P21-L78 HydrophobicContact CB-CD1 3.78Å; F23-L78 HydrophobicContact CD1-CB 4.45Å; F23-L78 HydrophobicContact CD1-CD1 4.27Å; F23-L78 HydrophobicContact CE1-CB 4.24Å; F23-L78 HydrophobicContact CE1-CD1 3.76Å; F23-L78 HydrophobicContact CE2-CD1 4.25Å; F23-L78 HydrophobicContact CZ-CD1 3.75Å; L78-T80 HydrophobicContact CD1-CG2 4.34Å; L78-T80 HydrophobicContact CD2-CG2 4.21Å; L78-T80 HydrophobicContact CG-CG2 3.94Å; L78-Y88 WeakPolarHBondContact O-CA 3.3Å; L78-Y89 HydrophobicContact CD2-CD2 4.43Å; L78-Y89 HydrophobicContact CG-CD2 4.48Å; L78-Y89 PolarHBondContact N-O 3.29Å; L78-Y89 PolarHBondContact O-N 3.31Å; L78-L91 HydrophobicContact CB-CD1 3.76Å; L78-L91 HydrophobicContact CB-CG 4.4Å; L78-L91 HydrophobicContact CD2-CD1 4.35Å |
| 79 | I | 90.5 | Very high | 85.2 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.4 | 175.8 | -48.9 | 174.2 | 0 | 0 | 0 | 107.8 | P21 R22 E24 D86 A87 Y88 | P21-I79 WeakPolarHBondContact CA-O 3.09Å; R22-I79 HydrophobicContact CB-CB 4.24Å; R22-I79 PolarHBondContact N-O 2.96Å; R22-I79 PolarHBondContact O-N 3.34Å; E24-I79 VanDerWaalsContact CD-CD1 3.5Å; E24-I79 HydrophobicContact CG-CD1 3.73Å; E24-I79 HydrophobicContact CG-CG1 4.43Å; I79-D86 HydrophobicContact CG2-CB 4.03Å; I79-A87 WeakPolarHBondContact CA-O 3.32Å; I79-Y88 HydrophobicContact CD1-CD1 4.24Å; I79-Y88 HydrophobicContact CD1-CE1 3.77Å; I79-Y88 HydrophobicContact CG1-CD1 3.74Å; I79-Y88 HydrophobicContact CG1-CE1 3.74Å; I79-Y88 HydrophobicContact CG2-CD1 4.4Å; I79-Y88 HydrophobicContact CG2-CE1 4.07Å |
| 80 | T | 86.9 | Confident | 86 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.1 | 177.5 | 65.2 | 0 | 0 | 0 | 0 | 108.6 | T17 L78 D86 A87 Y89 | T17-T80 HydrophobicContact CG2-CG2 3.62Å; T17-T80 WeakPolarHBondContact O-CA 3.24Å; T17-T80 WeakPolarHBondContact O-CB 3.13Å; L78-T80 HydrophobicContact CD1-CG2 4.34Å; L78-T80 HydrophobicContact CD2-CG2 4.21Å; L78-T80 HydrophobicContact CG-CG2 3.94Å; T80-D86 CarbonylContact O-C 3.56Å; T80-D86 WeakPolarHBondContact O-CA 3.34Å; T80-A87 PolarHBondContact N-O 2.89Å; T80-A87 PolarHBondContact O-N 3.5Å; T80-Y89 HydrophobicContact CG2-CD2 3.97Å; T80-Y89 HydrophobicContact CG2-CE2 3.78Å; T80-Y89 WeakPolarHBondContact OG1-CE2 3.29Å |
| 81 | T | 80.7 | Confident | 87 | Confident | 46 Ų | 46 | 59 Ų | 59 | 28% | 0.282 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 116.7 | 177 | -52.2 | 0 | 0 | 0 | 0 | 109.1 | R22 D86 | R22-T81 PolarHBondContact NH1-OG1 3.12Å; T81-D86 WeakPolarHBondContact CB-OD1 3.29Å; T81-D86 WeakPolarHBondContact CG2-OD1 3.2Å; T81-D86 PolarHBondContact OG1-OD1 2.87Å |
| 82 | Y | 70.4 | Confident | 87.5 | Confident | 163 Ų | 163 | 63.9 Ų | 63.9 | 64% | 0.639 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.2 | 174.4 | -170.7 | -96.6 | 0 | 0 | 0 | 109.6 | G84 V85 | Y82-G84 PolarHBondContact O-N 2.8Å; Y82-V85 PolarHBondContact N-O 2.91Å; Y82-V85 PolarHBondContact O-N 2.81Å |
| 83 | E | 71.9 | Confident | 87.7 | Confident | 172 Ų | 172 | 66.9 Ų | 66.9 | 80% | 0.804 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 33.7 | -176.7 | -64.8 | -172.8 | 159.9 | 0 | 0 | 114.3 | V85 | E83-V85 VanDerWaalsContact C-N 3.31Å; E83-V85 PolarHBondContact O-N 2.85Å |
| 84 | G | 73.7 | Confident | 87.6 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 71% | 0.711 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 7.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y82 | Y82-G84 PolarHBondContact O-N 2.8Š|
| 85 | V | 78.8 | Confident | 87.4 | Confident | 106 Ų | 106 | 69.8 Ų | 69.8 | 64% | 0.642 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 126.5 | 172.4 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | Y82 E83 | Y82-V85 PolarHBondContact N-O 2.91Å; Y82-V85 PolarHBondContact O-N 2.81Å; E83-V85 VanDerWaalsContact C-N 3.31Å; E83-V85 PolarHBondContact O-N 2.85Å |
| 86 | D | 85.4 | Confident | 86.7 | Confident | 58 Ų | 58 | 69.2 Ų | 69.2 | 31% | 0.31 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.6 | 175.5 | -76.1 | -13.5 | 0 | 0 | 0 | 110.5 | R22 I79 T80 T81 Y88 | R22-D86 IonicContact NH2-OD1 2.85Å; R22-D86 PolarHBondContact NH2-OD1 2.91Å; R22-D86 IonicContact NH2-OD2 3.14Å; R22-D86 PolarHBondContact NH2-OD2 3.33Å; I79-D86 HydrophobicContact CG2-CB 4.03Å; T80-D86 CarbonylContact O-C 3.56Å; T80-D86 WeakPolarHBondContact O-CA 3.34Å; T81-D86 WeakPolarHBondContact CB-OD1 3.29Å; T81-D86 WeakPolarHBondContact CG2-OD1 3.2Å; T81-D86 PolarHBondContact OG1-OD1 2.87Å; D86-Y88 HydrophobicContact CB-CE2 3.86Å |
| 87 | A | 85.6 | Confident | 85.3 | Confident | 37 Ų | 37 | 71.7 Ų | 71.7 | 31% | 0.306 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 144.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I79 T80 Y89 | I79-A87 WeakPolarHBondContact CA-O 3.32Å; T80-A87 PolarHBondContact N-O 2.89Å; T80-A87 PolarHBondContact O-N 3.5Å; A87-Y89 HydrophobicContact CB-CE2 4.02Å |
| 88 | Y | 88.9 | Confident | 83.5 | Confident | 142 Ų | 142 | 73.3 Ų | 73.3 | 56% | 0.557 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.2 | -171.6 | -62.4 | -98.9 | 0 | 0 | 0 | 110 | L78 I79 D86 | L78-Y88 WeakPolarHBondContact O-CA 3.3Å; I79-Y88 HydrophobicContact CD1-CD1 4.24Å; I79-Y88 HydrophobicContact CD1-CE1 3.77Å; I79-Y88 HydrophobicContact CG1-CD1 3.74Å; I79-Y88 HydrophobicContact CG1-CE1 3.74Å; I79-Y88 HydrophobicContact CG2-CD1 4.4Å; I79-Y88 HydrophobicContact CG2-CE1 4.07Å; D86-Y88 HydrophobicContact CB-CE2 3.86Å |
| 89 | Y | 90 | Very high | 82.2 | Confident | 117 Ų | 117 | 77.5 Ų | 77.5 | 46% | 0.459 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 114.5 | 178.3 | -58.6 | -86.8 | 0 | 0 | 0 | 109.8 | N77 L78 T80 A87 L91 | N77-Y89 WeakPolarHBondContact CA-O 3.43Å; L78-Y89 HydrophobicContact CD2-CD2 4.43Å; L78-Y89 HydrophobicContact CG-CD2 4.48Å; L78-Y89 PolarHBondContact N-O 3.29Å; L78-Y89 PolarHBondContact O-N 3.31Å; T80-Y89 HydrophobicContact CG2-CD2 3.97Å; T80-Y89 HydrophobicContact CG2-CE2 3.78Å; T80-Y89 WeakPolarHBondContact OG1-CE2 3.29Å; A87-Y89 HydrophobicContact CB-CE2 4.02Å; Y89-L91 PolarHBondContact O-N 3.39Å |
| 90 | A | 92.6 | Very high | 81.7 | Confident | 83 Ų | 83 | 82.5 Ų | 82.5 | 69% | 0.686 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 119.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 91 | L | 93.9 | Very high | 81.6 | Confident | 35 Ų | 35 | 84.8 Ų | 84.8 | 18% | 0.183 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 118.6 | 180 | -56.8 | 177.1 | 0 | 0 | 0 | 108.4 | L1 I10 R75 F76 L78 Y89 | L1-L91 HydrophobicContact CD1-CB 4.46Å; L1-L91 HydrophobicContact CD1-CD2 4.44Å; L1-L91 HydrophobicContact CD2-CB 4.36Å; L1-L91 HydrophobicContact CD2-CD1 4.29Å; I10-L91 HydrophobicContact CD1-CB 4.43Å; I10-L91 HydrophobicContact CD1-CD1 3.92Å; I10-L91 HydrophobicContact CG2-CD1 4.03Å; R75-L91 CarbonylContact C-O 3.48Å; R75-L91 WeakPolarHBondContact CA-O 3.34Å; F76-L91 HydrophobicContact CB-CB 4.44Å; F76-L91 PolarHBondContact N-O 2.84Å; F76-L91 PolarHBondContact O-N 2.74Å; L78-L91 HydrophobicContact CB-CD1 3.76Å; L78-L91 HydrophobicContact CB-CG 4.4Å; L78-L91 HydrophobicContact CD2-CD1 4.35Å; Y89-L91 PolarHBondContact O-N 3.39Å |
| 92 | N | 93.3 | Very high | 82 | Confident | 114 Ų | 114 | 83 Ų | 83 | 61% | 0.61 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 145.5 | 175.8 | 59.8 | 34.9 | 0 | 0 | 0 | 111.2 | F74 R75 | F74-N92 VanDerWaalsContact O-CA 3.26Å; F74-N92 WeakPolarHBondContact O-CA 3.47Å; R75-N92 HydrophobicContact CG-CB 4.21Å |
| 93 | K | 93.5 | Very high | 83 | Confident | 72 Ų | 72 | 77.1 Ų | 77.1 | 31% | 0.313 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 138.7 | 171.3 | -165.4 | 165.3 | -172.8 | 152.8 | 0 | 110 | L1 F8 F74 | L1-K93 HydrophobicContact CB-CD 4.09Å; L1-K93 PolarHBondContact O-NZ 2.86Å; F8-K93 HydrophobicContact CD2-CB 4.48Å; F8-K93 HydrophobicContact CD2-CD 4.31Å; F8-K93 HydrophobicContact CE2-CB 3.74Å; F8-K93 HydrophobicContact CE2-CD 3.65Å; F8-K93 HydrophobicContact CE2-CG 4.17Å; F8-K93 HydrophobicContact CZ-CB 3.93Å; F74-K93 PolarHBondContact N-O 3.02Å; F74-K93 PolarHBondContact O-N 3.16Å |
| 94 | T | 92.1 | Very high | 84 | Confident | 86 Ų | 86 | 71.2 Ų | 71.2 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.6 | 169.3 | -56.1 | 0 | 0 | 0 | 0 | 108.9 | F72 S73 | F72-T94 CarbonylContact O-C 3.52Å; F72-T94 WeakPolarHBondContact O-CA 3.34Å; S73-T94 VanDerWaalsContact OG-CG2 3.25Å; S73-T94 WeakPolarHBondContact OG-CG2 3.41Å; S73-T94 PolarHBondContact OG-OG1 3.14Å |
| 95 | C | 89.4 | Confident | 85 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.007 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.5 | 175.8 | -59 | 0 | 0 | 0 | 0 | 109.3 | C3 Y61 F72 F74 | C3-C95 HydrophobicContact CB-CB 3.73Å; C3-C95 WeakPolarHBondContact CB-SG 3.44Å; C3-C95 WeakPolarHBondContact SG-CA 3.48Å; C3-C95 WeakPolarHBondContact SG-CB 3.33Å; C3-C95 CovalentContact SG-SG 2.03Å; C3-C95 PolarHBondContact SG-SG 2.88Å; Y61-C95 HydrophobicContact CE1-CB 4.14Å; F72-C95 PolarHBondContact N-O 2.64Å; F72-C95 PolarHBondContact O-N 3.07Å; F74-C95 HydrophobicContact CE2-CB 4.19Å |
| 96 | S | 81.7 | Confident | 85.8 | Confident | 96 Ų | 96 | 63 Ų | 63 | 67% | 0.671 | 35% | 0.352 | S | S | * | . | trans | -76.2 | 142.2 | 165.5 | -53.6 | 0 | 0 | 0 | 0 | 108.6 | P98 | S96-P98 WeakPolarHBondContact O-CD 3.07Š| ||
| 97 | S | 66.8 | Low | 86.3 | Confident | 55 Ų | 55 | 61 Ų | 61 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | trans | -61.8 | 110.3 | 175.1 | -167.4 | 0 | 0 | 0 | 0 | 109.1 | L99 W101 | S97-L99 PolarHBondContact O-N 2.88Å; S97-L99 PolarHBondContact OG-O 2.92Å; S97-W101 PolarHBondContact OG-NE1 2.8Å | ||
| 98 | P | 55.3 | Low | 86.8 | Confident | 68 Ų | 68 | 59.2 Ų | 59.2 | 44% | 0.442 | 33% | 0.327 | S | S | . | . | trans | -78.3 | -23 | -167.9 | 28.1 | -29.9 | 0 | 0 | 0 | 113 | S96 | S96-P98 WeakPolarHBondContact O-CD 3.07Š| ||
| 99 | L | 65.3 | Low | 87.1 | Confident | 94 Ų | 94 | 52.5 Ų | 52.5 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -143.9 | 154.4 | -177.2 | -71.9 | 167.7 | 0 | 0 | 0 | 110.5 | S97 | S97-L99 PolarHBondContact O-N 2.88Å; S97-L99 PolarHBondContact OG-O 2.92Å |
| 100 | P | 78.6 | Confident | 87.2 | Confident | 112 Ų | 112 | 49.7 Ų | 49.7 | 73% | 0.727 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 147.1 | 171.4 | 25.4 | -32 | 0 | 0 | 0 | 110.9 | R6 | R6-P100 PolarHBondContact NH2-O 2.84Š|
| 101 | W | 85.6 | Confident | 87.3 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 21% | 0.205 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 138.9 | 175.7 | -68.2 | 83 | 0 | 0 | 0 | 110.3 | R6 Y61 F62 S97 E105 | R6-W101 VanDerWaalsContact CD-CH2 3.4Å; R6-W101 HydrophobicContact CG-CZ3 4.49Å; Y61-W101 HydrophobicContact CD2-CZ2 4.08Å; F62-W101 HydrophobicContact CD2-CH2 4.29Å; F62-W101 HydrophobicContact CE2-CE3 4.22Å; F62-W101 AromaticContact CE2-CH2 3.35Å; F62-W101 HydrophobicContact CE2-CH2 3.35Å; F62-W101 AromaticContact CE2-CZ2 3.98Å; F62-W101 HydrophobicContact CE2-CZ2 3.98Å; F62-W101 AromaticContact CE2-CZ3 3.48Å; F62-W101 HydrophobicContact CE2-CZ3 3.48Å; F62-W101 VanDerWaalsContact CE2-CZ3 3.48Å; F62-W101 HydrophobicContact CZ-CD2 4.35Å; F62-W101 HydrophobicContact CZ-CE3 4.23Å; F62-W101 AromaticContact CZ-CH2 3.59Å; F62-W101 HydrophobicContact CZ-CH2 3.59Å; F62-W101 AromaticContact CZ-CZ2 3.71Å; F62-W101 HydrophobicContact CZ-CZ2 3.71Å; F62-W101 AromaticContact CZ-CZ3 3.85Å; F62-W101 HydrophobicContact CZ-CZ3 3.85Å; S97-W101 PolarHBondContact OG-NE1 2.8Å; W101-E105 WeakPolarHBondContact CA-OE1 3.27Å; W101-E105 HydrophobicContact CE3-CB 4.44Å; W101-E105 VanDerWaalsContact CE3-CD 3.43Å; W101-E105 HydrophobicContact CE3-CG 4.15Å |
| 102 | S | 89.5 | Confident | 87.4 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 156.5 | 172.8 | -51.6 | 0 | 0 | 0 | 0 | 110.3 | R104 E105 R177 E322 V324 | S102-R104 PolarHBondContact O-N 2.99Å; S102-E105 PolarHBondContact N-OE1 2.98Å; S102-R177 VanDerWaalsContact O-CZ 3.3Å; S102-R177 PolarHBondContact O-NH1 2.93Å; S102-R177 PolarHBondContact O-NH2 2.92Å; S102-E322 VanDerWaalsContact CB-OE2 3.27Å; S102-E322 WeakPolarHBondContact CB-OE2 3.35Å; S102-E322 PolarHBondContact OG-OE2 2.94Å; S102-V324 WeakPolarHBondContact OG-CG2 3.47Å |
| 103 | P | 90.8 | Very high | 87.6 | Confident | 40 Ų | 40 | 40.8 Ų | 40.8 | 26% | 0.26 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -49.4 | -41.3 | 177.1 | -29.9 | 35.6 | 0 | 0 | 0 | 113.1 | V117 R118 R177 E322 | P103-V117 CarbonylContact O-C 3.59Å; P103-V117 WeakPolarHBondContact O-CA 3.46Å; P103-R118 PolarHBondContact O-N 3.43Å; P103-R177 PolarHBondContact O-NH2 2.82Å; P103-E322 WeakPolarHBondContact CD-O 3.24Å |
| 104 | R | 92.8 | Very high | 87.8 | Confident | 47 Ų | 47 | 37.7 Ų | 37.7 | 18% | 0.177 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.7 | 170.9 | 178.2 | 177.5 | -78 | -169.5 | -8.6 | 109.9 | S102 V106 V115 S116 V117 D218 E322 T323 V324 | S102-R104 PolarHBondContact O-N 2.99Å; R104-V106 HydrophobicContact CG-CG2 4.36Å; R104-V115 HydrophobicContact CG-CG2 4.37Å; R104-S116 WeakPolarHBondContact CA-O 3.49Å; R104-V117 HydrophobicContact CB-CG1 4.31Å; R104-V117 HydrophobicContact CG-CG1 4.03Å; R104-D218 IonicContact CZ-OD2 2.63Å; R104-D218 IonicContact NH1-OD2 3.65Å; R104-D218 PolarHBondContact NH2-O 3.47Å; R104-D218 IonicContact NH2-OD2 3.54Å; R104-D218 PolarHBondContact NH2-OD2 3.24Å; R104-E322 PolarHBondContact N-O 2.9Å; R104-T323 HydrophobicContact CB-CG2 4.27Å; R104-T323 HydrophobicContact CG-CG2 3.94Å; R104-T323 WeakPolarHBondContact O-CA 2.9Å; R104-V324 PolarHBondContact O-N 3.05Å |
| 105 | E | 94.1 | Very high | 88 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.3 | 171.1 | -64.7 | -156.3 | -160.2 | 0 | 0 | 110.3 | R6 W101 S102 V115 S116 V324 W326 | R6-E105 VanDerWaalsContact CD-OE2 3.28Å; R6-E105 WeakPolarHBondContact CD-OE2 3.29Å; R6-E105 IonicContact CZ-OE1 3.54Å; R6-E105 IonicContact CZ-OE2 3.47Å; R6-E105 VanDerWaalsContact NE-CD 3.3Å; R6-E105 IonicContact NE-OE1 3.04Å; R6-E105 PolarHBondContact NE-OE1 3.31Å; R6-E105 VanDerWaalsContact NE-OE1 3.1Å; R6-E105 IonicContact NE-OE2 3.19Å; R6-E105 PolarHBondContact NE-OE2 3.17Å; R6-E105 IonicContact NH2-OE1 3.26Å; R6-E105 PolarHBondContact NH2-OE1 3.46Å; R6-E105 IonicContact NH2-OE2 2.84Å; W101-E105 WeakPolarHBondContact CA-OE1 3.27Å; W101-E105 HydrophobicContact CE3-CB 4.44Å; W101-E105 VanDerWaalsContact CE3-CD 3.43Å; W101-E105 HydrophobicContact CE3-CG 4.15Å; S102-E105 PolarHBondContact N-OE1 2.98Å; E105-V115 CarbonylContact O-C 3.53Å; E105-V115 WeakPolarHBondContact O-CA 3.38Å; E105-S116 PolarHBondContact N-O 3.23Å; E105-S116 PolarHBondContact O-N 3.46Å; E105-V324 CarbonylContact C-O 3.59Å; E105-V324 VanDerWaalsContact CA-O 3.25Å; E105-V324 WeakPolarHBondContact CA-O 3.24Å; E105-V324 HydrophobicContact CG-CB 4.25Å; E105-W326 PolarHBondContact OE2-NE1 3.5Å |
| 106 | V | 96.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.7 | 179.5 | 179 | 0 | 0 | 0 | 0 | 107.7 | R104 E114 V115 A221 Y244 V324 L325 W326 | R104-V106 HydrophobicContact CG-CG2 4.36Å; V106-E114 CarbonylContact C-O 3.51Å; V106-E114 VanDerWaalsContact CA-O 3.3Å; V106-E114 WeakPolarHBondContact CA-O 3.3Å; V106-V115 HydrophobicContact CG2-CB 4.14Å; V106-V115 HydrophobicContact CG2-CG2 3.74Å; V106-A221 HydrophobicContact CG1-CB 4.09Å; V106-Y244 WeakPolarHBondContact CG1-OH 3.49Å; V106-Y244 HydrophobicContact CG2-CE1 4.1Å; V106-Y244 HydrophobicContact CG2-CE2 4.35Å; V106-Y244 VanDerWaalsContact CG2-OH 3.27Å; V106-Y244 WeakPolarHBondContact CG2-OH 3.38Å; V106-V324 PolarHBondContact N-O 2.88Å; V106-L325 HydrophobicContact CB-CD1 3.63Å; V106-L325 HydrophobicContact CG1-CD1 3.49Å; V106-L325 VanDerWaalsContact CG1-CD1 3.49Å; V106-L325 CarbonylContact O-C 3.59Å; V106-L325 WeakPolarHBondContact O-CA 3.49Å; V106-W326 PolarHBondContact O-N 3.12Å |
| 107 | T | 95.9 | Very high | 88.6 | Confident | 15 Ų | 15 | 29.7 Ų | 29.7 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 114.6 | 177.2 | -55.7 | 0 | 0 | 0 | 0 | 109 | E109 E114 W326 | T107-E109 HydrophobicContact CG2-CB 4.48Å; T107-E114 PolarHBondContact N-O 3.17Å; T107-E114 PolarHBondContact O-N 3.29Å; T107-W326 HydrophobicContact CG2-CB 4.38Å |
| 108 | C | 96.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 86.5 | 168.1 | -59.2 | 0 | 0 | 0 | 0 | 107.7 | Y184 C223 W326 F327 H328 R329 | C108-Y184 WeakPolarHBondContact CA-OH 3.32Å; C108-Y184 WeakPolarHBondContact CB-OH 3.27Å; C108-C223 VanDerWaalsContact CA-SG 3.59Å; C108-C223 HydrophobicContact CB-CB 3.75Å; C108-C223 WeakPolarHBondContact CB-SG 3.44Å; C108-C223 WeakPolarHBondContact SG-CA 3.37Å; C108-C223 WeakPolarHBondContact SG-CB 3.39Å; C108-C223 CovalentContact SG-SG 2.02Å; C108-C223 PolarHBondContact SG-SG 3.07Å; C108-W326 WeakPolarHBondContact CB-O 3.4Å; C108-W326 PolarHBondContact N-O 2.95Å; C108-F327 HydrophobicContact CB-CD1 3.45Å; C108-F327 VanDerWaalsContact CB-CD1 3.45Å; C108-F327 HydrophobicContact CB-CE1 3.71Å; C108-F327 HydrophobicContact CB-CG 4.28Å; C108-F327 VanDerWaalsContact SG-CE1 3.52Å; C108-H328 PolarHBondContact O-N 2.82Å; C108-R329 PolarHBondContact O-NH1 3.12Å |
| 109 | E | 95.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 16% | 0.16 | C | C | . | . | trans | -76.1 | 177.1 | 173.3 | -173.1 | 49.9 | -91.7 | 0 | 0 | 109.5 | R58 T107 N111 Y112 Y184 H328 R329 | R58-E109 IonicContact CZ-OE1 3.1Å; R58-E109 IonicContact CZ-OE2 3.81Å; R58-E109 IonicContact NE-OE1 3.7Å; R58-E109 PolarHBondContact NE-OE1 3.05Å; R58-E109 IonicContact NE-OE2 2.71Å; R58-E109 PolarHBondContact NE-OE2 2.9Å; R58-E109 IonicContact NH2-OE1 3.35Å; R58-E109 PolarHBondContact NH2-OE1 2.96Å; R58-E109 IonicContact NH2-OE2 2.79Å; T107-E109 HydrophobicContact CG2-CB 4.48Å; E109-N111 VanDerWaalsContact C-N 3.31Å; E109-N111 PolarHBondContact O-N 2.93Å; E109-Y112 HydrophobicContact CB-CD1 4.05Å; E109-Y112 HydrophobicContact CB-CD2 4.31Å; E109-Y112 HydrophobicContact CB-CE1 3.76Å; E109-Y112 HydrophobicContact CB-CE2 4.03Å; E109-Y112 HydrophobicContact CB-CG 4.31Å; E109-Y112 HydrophobicContact CG-CD1 4.12Å; E109-Y112 HydrophobicContact CG-CE1 3.61Å; E109-Y112 PolarHBondContact N-O 3.37Å; E109-Y184 WeakPolarHBondContact O-CE2 3.19Å; E109-Y184 PolarHBondContact O-OH 3.08Å; E109-H328 WeakPolarHBondContact OE1-CB 3.37Å; E109-H328 IonicContact OE1-CG 2.75Å; E109-H328 IonicContact OE2-CD2 3.91Å; E109-H328 IonicContact OE2-CG 3.26Å; E109-R329 PolarHBondContact O-NH1 3.28Å | ||
| 110 | V | 92.7 | Very high | 90.6 | Very high | 58 Ų | 58 | 33.4 Ų | 33.4 | 35% | 0.352 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -66.4 | -28.7 | 178.5 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | S45 | S45-V110 WeakPolarHBondContact OG-CG2 3.44Š|
| 111 | N | 94.5 | Very high | 89.5 | Confident | 39 Ų | 39 | 29.9 Ų | 29.9 | 21% | 0.209 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -125.3 | -7.5 | -172.5 | 65 | -28.9 | 0 | 0 | 0 | 114.9 | A40 Y44 E109 Y184 | A40-N111 HydrophobicContact CB-CB 4.41Å; A40-N111 WeakPolarHBondContact CB-O 3.49Å; Y44-N111 PolarHBondContact O-ND2 3.19Å; E109-N111 VanDerWaalsContact C-N 3.31Å; E109-N111 PolarHBondContact O-N 2.93Å; N111-Y184 VanDerWaalsContact C-CD2 3.43Å |
| 112 | Y | 95.8 | Very high | 87.3 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 162 | 176.7 | 69.1 | -96.3 | 0 | 0 | 0 | 113.2 | A40 E109 E114 R181 T182 Y184 | A40-Y112 WeakPolarHBondContact O-CB 3.41Å; E109-Y112 HydrophobicContact CB-CD1 4.05Å; E109-Y112 HydrophobicContact CB-CD2 4.31Å; E109-Y112 HydrophobicContact CB-CE1 3.76Å; E109-Y112 HydrophobicContact CB-CE2 4.03Å; E109-Y112 HydrophobicContact CB-CG 4.31Å; E109-Y112 HydrophobicContact CG-CD1 4.12Å; E109-Y112 HydrophobicContact CG-CE1 3.61Å; E109-Y112 PolarHBondContact N-O 3.37Å; Y112-E114 HydrophobicContact CD2-CB 3.98Å; Y112-E114 HydrophobicContact CE2-CB 3.72Å; Y112-R181 HydrophobicContact CD2-CG 3.65Å; Y112-R181 HydrophobicContact CE2-CG 4.27Å; Y112-R181 HydrophobicContact CG-CG 4.19Å; Y112-T182 WeakPolarHBondContact CA-O 3.45Å; Y112-T182 WeakPolarHBondContact CB-O 3.37Å; Y112-Y184 WeakPolarHBondContact O-CE2 3.46Å |
| 113 | M | 97.3 | Very high | 84.7 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.9 | 168.7 | -59.5 | -177 | -84.1 | 0 | 0 | 109.6 | R181 T182 Y184 E200 V202 A221 C223 | M113-R181 VanDerWaalsContact O-CA 3.3Å; M113-R181 WeakPolarHBondContact O-CA 3.24Å; M113-R181 WeakPolarHBondContact O-CG 3.47Å; M113-T182 HydrophobicContact CB-CG2 4.32Å; M113-T182 HydrophobicContact CE-CG2 4.09Å; M113-T182 PolarHBondContact N-O 3.42Å; M113-T182 PolarHBondContact O-N 2.92Å; M113-Y184 HydrophobicContact CE-CD1 3.84Å; M113-Y184 HydrophobicContact CE-CE1 4.13Å; M113-Y184 HydrophobicContact CG-CD1 3.78Å; M113-Y184 HydrophobicContact CG-CE1 3.22Å; M113-Y184 HydrophobicContact CG-CE2 4.25Å; M113-Y184 HydrophobicContact CG-CG 4.49Å; M113-Y184 VanDerWaalsContact CG-CZ 3.5Å; M113-Y184 HydrophobicContact SD-CD1 3.92Å; M113-Y184 HydrophobicContact SD-CE1 3.57Å; M113-Y184 VanDerWaalsContact SD-CE1 3.57Å; M113-E200 HydrophobicContact CE-CG 4.07Å; M113-E200 WeakPolarHBondContact CE-OE1 3.43Å; M113-V202 HydrophobicContact CE-CB 4.2Å; M113-V202 HydrophobicContact CE-CG1 3.74Å; M113-V202 HydrophobicContact SD-CG1 4.1Å; M113-A221 HydrophobicContact CB-CB 4.03Å; M113-A221 HydrophobicContact SD-CB 4.43Å; M113-C223 HydrophobicContact CG-CB 4.46Å; M113-C223 VanDerWaalsContact CG-SG 3.6Å; M113-C223 HydrophobicContact SD-CB 4.22Å |
| 114 | E | 96.8 | Very high | 82.1 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 130.3 | 176.7 | 177.5 | 175 | 101.2 | 0 | 0 | 110.1 | S60 V106 T107 Y112 V179 F180 R181 | S60-E114 PolarHBondContact OG-OE1 3.16Å; S60-E114 PolarHBondContact OG-OE2 3.14Å; V106-E114 CarbonylContact C-O 3.51Å; V106-E114 VanDerWaalsContact CA-O 3.3Å; V106-E114 WeakPolarHBondContact CA-O 3.3Å; T107-E114 PolarHBondContact N-O 3.17Å; T107-E114 PolarHBondContact O-N 3.29Å; Y112-E114 HydrophobicContact CD2-CB 3.98Å; Y112-E114 HydrophobicContact CE2-CB 3.72Å; E114-V179 HydrophobicContact CG-CG1 3.85Å; E114-F180 CarbonylContact C-O 3.49Å; E114-F180 VanDerWaalsContact CA-O 3.32Å; E114-F180 WeakPolarHBondContact CA-O 3.28Å; E114-R181 HydrophobicContact CB-CB 4.46Å; E114-R181 HydrophobicContact CB-CG 4.22Å; E114-R181 IonicContact OE2-CZ 3.33Å; E114-R181 IonicContact OE2-NE 3.51Å; E114-R181 PolarHBondContact OE2-NE 2.82Å; E114-R181 IonicContact OE2-NH2 2.65Å; E114-R181 PolarHBondContact OE2-NH2 2.75Å |
| 115 | V | 96 | Very high | 79.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.5 | 172.8 | 59.8 | 0 | 0 | 0 | 0 | 109.5 | R104 E105 V106 V117 V179 F180 L219 A221 | R104-V115 HydrophobicContact CG-CG2 4.37Å; E105-V115 CarbonylContact O-C 3.53Å; E105-V115 WeakPolarHBondContact O-CA 3.38Å; V106-V115 HydrophobicContact CG2-CB 4.14Å; V106-V115 HydrophobicContact CG2-CG2 3.74Å; V115-V117 HydrophobicContact CG2-CG1 4.18Å; V115-V179 CarbonylContact O-C 3.57Å; V115-V179 VanDerWaalsContact O-CA 3.31Å; V115-V179 WeakPolarHBondContact O-CA 3.48Å; V115-F180 HydrophobicContact CG1-CB 3.76Å; V115-F180 HydrophobicContact CG1-CD1 3.7Å; V115-F180 HydrophobicContact CG1-CG 4.2Å; V115-F180 PolarHBondContact N-O 3.38Å; V115-F180 PolarHBondContact O-N 2.87Å; V115-L219 HydrophobicContact CG1-CB 3.83Å; V115-L219 HydrophobicContact CG1-CD2 4.25Å; V115-A221 HydrophobicContact CB-CB 4.46Å |
| 116 | S | 93.1 | Very high | 76 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.2 | 177.7 | -175.6 | 0 | 0 | 0 | 0 | 109 | R104 E105 R177 I178 | R104-S116 WeakPolarHBondContact CA-O 3.49Å; E105-S116 PolarHBondContact N-O 3.23Å; E105-S116 PolarHBondContact O-N 3.46Å; S116-R177 PolarHBondContact O-NH2 2.67Å; S116-R177 PolarHBondContact OG-NE 2.92Å; S116-I178 WeakPolarHBondContact CA-O 3.19Å |
| 117 | V | 92.4 | Very high | 72.9 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 143.2 | 178.1 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | P103 R104 V115 S119 R177 I178 V217 L219 | P103-V117 CarbonylContact O-C 3.59Å; P103-V117 WeakPolarHBondContact O-CA 3.46Å; R104-V117 HydrophobicContact CB-CG1 4.31Å; R104-V117 HydrophobicContact CG-CG1 4.03Å; V115-V117 HydrophobicContact CG2-CG1 4.18Å; V117-S119 PolarHBondContact O-N 3.27Å; V117-R177 CarbonylContact O-C 3.56Å; V117-R177 WeakPolarHBondContact O-CA 3.46Å; V117-R177 WeakPolarHBondContact O-CB 3.47Å; V117-I178 HydrophobicContact CG2-CB 4Å; V117-I178 PolarHBondContact N-O 3.48Å; V117-I178 PolarHBondContact O-N 3.2Å; V117-V217 HydrophobicContact CG2-CG1 3.55Å; V117-L219 HydrophobicContact CB-CD2 4.36Å; V117-L219 HydrophobicContact CG1-CD2 4Å; V117-L219 HydrophobicContact CG2-CD2 3.45Å; V117-L219 VanDerWaalsContact CG2-CD2 3.45Å |
| 118 | R | 88.8 | Confident | 69.6 | Low | 133 Ų | 133 | 62 Ų | 62 | 50% | 0.502 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 130.8 | 170.3 | 178.2 | 172.1 | 137.1 | -174.4 | -2.3 | 109.4 | P103 E120 | P103-R118 PolarHBondContact O-N 3.43Å; R118-E120 IonicContact CZ-OE1 3.14Å; R118-E120 IonicContact NE-OE1 3.78Å; R118-E120 PolarHBondContact NE-OE1 3.04Å; R118-E120 IonicContact NH2-OE1 3.87Å; R118-E120 PolarHBondContact NH2-OE1 3.22Å |
| 119 | S | 76.5 | Confident | 66.7 | Low | 15 Ų | 15 | 69.6 Ų | 69.6 | 11% | 0.105 | 41% | 0.413 | C | S | . | . | trans | -102.6 | 113.5 | 177.1 | -179 | 0 | 0 | 0 | 0 | 108.6 | V117 L121 D176 | V117-S119 PolarHBondContact O-N 3.27Å; S119-L121 WeakPolarHBondContact OG-CB 3.31Å; S119-L121 VanDerWaalsContact OG-CD1 3.26Å; S119-L121 WeakPolarHBondContact OG-CD1 3.23Å; S119-L121 VanDerWaalsContact OG-CG 3.26Å; S119-L121 WeakPolarHBondContact OG-CG 3.48Å; S119-D176 WeakPolarHBondContact CA-O 3.28Å; S119-D176 WeakPolarHBondContact CB-O 3.38Å; S119-D176 PolarHBondContact N-O 2.78Å | ||
| 120 | E | 62.3 | Low | 63.5 | Low | 147 Ų | 147 | 77.2 Ų | 77.2 | 69% | 0.687 | 45% | 0.454 | S | S | * | . | trans | -92.9 | 27.8 | 169 | -58.8 | -166.2 | 159.1 | 0 | 0 | 111.8 | R118 P122 | R118-E120 IonicContact CZ-OE1 3.14Å; R118-E120 IonicContact NE-OE1 3.78Å; R118-E120 PolarHBondContact NE-OE1 3.04Å; R118-E120 IonicContact NH2-OE1 3.87Å; R118-E120 PolarHBondContact NH2-OE1 3.22Å; E120-P122 WeakPolarHBondContact O-CD 3.35Å | ||
| 121 | L | 56.3 | Low | 60.7 | Low | 39 Ų | 39 | 78.4 Ų | 78.4 | 20% | 0.204 | 47% | 0.465 | C | S | . | . | trans | -62.4 | 127.8 | 177.2 | -74.1 | 170.5 | 0 | 0 | 0 | 109.5 | S119 C123 W145 I178 V215 | S119-L121 WeakPolarHBondContact OG-CB 3.31Å; S119-L121 VanDerWaalsContact OG-CD1 3.26Å; S119-L121 WeakPolarHBondContact OG-CD1 3.23Å; S119-L121 VanDerWaalsContact OG-CG 3.26Å; S119-L121 WeakPolarHBondContact OG-CG 3.48Å; L121-C123 PolarHBondContact O-N 3.06Å; L121-W145 HydrophobicContact CD1-CH2 4.06Å; L121-W145 HydrophobicContact CD1-CZ2 4.19Å; L121-W145 HydrophobicContact CD2-CH2 4.45Å; L121-I178 HydrophobicContact CD1-CD1 4.27Å; L121-V215 HydrophobicContact CD2-CB 4.42Å; L121-V215 HydrophobicContact CD2-CG1 3.67Å; L121-V215 HydrophobicContact CD2-CG2 4.17Å | ||
| 122 | P | 39.2 | Very low | 57.6 | Low | 117 Ų | 117 | 81.1 Ų | 81.1 | 76% | 0.76 | 49% | 0.487 | S | S | * | . | trans | -70.6 | 95.3 | 170.7 | 27.4 | -30.7 | 0 | 0 | 0 | 108.7 | E120 | E120-P122 WeakPolarHBondContact O-CD 3.35Š| ||
| 123 | C | 35.4 | Very low | 54.5 | Low | 97 Ų | 97 | 87 Ų | 87 | 66% | 0.655 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 128.6 | 170.6 | -71.6 | 0 | 0 | 0 | 0 | 110.2 | L121 S125 | L121-C123 PolarHBondContact O-N 3.06Å; C123-S125 PolarHBondContact O-N 2.86Å |
| 124 | Q | 36.5 | Very low | 51.7 | Low | 194 Ų | 194 | 96.3 Ų | 96.3 | 91% | 0.907 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 122 | 160.4 | -81.1 | -179.6 | -15.7 | 0 | 0 | 108.8 | G126 | Q124-G126 PolarHBondContact O-N 3.07Š|
| 125 | S | 31.2 | Very low | 48.3 | Very low | 126 Ų | 126 | 99 Ų | 99 | 88% | 0.881 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 119.6 | 169.1 | 39.2 | 0 | 0 | 0 | 0 | 110.1 | C123 | C123-S125 PolarHBondContact O-N 2.86Š|
| 126 | G | 27.7 | Very low | 46.3 | Very low | 75 Ų | 75 | 104.9 Ų | 104.9 | 77% | 0.773 | 64% | 0.64 | S | S | * | * | trans | -174.2 | 103.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q124 | Q124-G126 PolarHBondContact O-N 3.07Š| ||
| 127 | S | 30.5 | Very low | 43.3 | Very low | 119 Ų | 119 | 112.5 Ų | 112.5 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | trans | -57.1 | 138.5 | 178.9 | 54.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 128 | S | 26.9 | Very low | 40.4 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | -179.1 | 147.4 | 108.7 | 69.8 | 0 | 0 | 0 | 0 | 111.2 | D130 | S128-D130 PolarHBondContact O-N 3.18Š| |||
| 129 | D | 36 | Very low | 37.8 | Very low | 158 Ų | 158 | 120.9 Ų | 120.9 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | trans | -39.4 | 123.9 | 160.4 | -72.4 | -46.4 | 0 | 0 | 0 | 111.5 | ||||
| 130 | D | 28.5 | Very low | 36.3 | Very low | 162 Ų | 162 | 126 Ų | 126 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | -174.1 | 147.8 | 118.3 | -124.2 | -25.3 | 0 | 0 | 0 | 111.3 | S128 | S128-D130 PolarHBondContact O-N 3.18Š| |||
| 131 | S | 32.3 | Very low | 35.1 | Very low | 84 Ų | 84 | 124.4 Ų | 124.4 | 59% | 0.587 | 77% | 0.765 | S | S | * | * | trans | -62.3 | 153.8 | 170.7 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 132 | S | 29.4 | Very low | 34.6 | Very low | 96 Ų | 96 | 128.1 Ų | 128.1 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | 100.2 | 125.1 | 157.2 | 78.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 133 | T | 31.1 | Very low | 35.4 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | 56.9 | 107.7 | 140.1 | 55.3 | 0 | 0 | 0 | 0 | 118.5 | G135 | T133-G135 PolarHBondContact O-N 3.38Š| ||
| 134 | L | 39.3 | Very low | 37.1 | Very low | 196 Ų | 196 | 127.4 Ų | 127.4 | 100% | 1.026 | 77% | 0.771 | S | S | * | * | trans | -60.2 | 96.3 | 158.6 | -75 | 161.6 | 0 | 0 | 0 | 109.7 | ||||
| 135 | G | 25.7 | Very low | 39.3 | Very low | 63 Ų | 63 | 121.5 Ų | 121.5 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | trans | -126.5 | 149.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111 | T133 | T133-G135 PolarHBondContact O-N 3.38Š| ||
| 136 | P | 52.7 | Low | 42 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 81% | 0.805 | 71% | 0.714 | S | S | * | * | trans | -102.2 | 152.8 | -148.4 | 37.4 | -32.2 | 0 | 0 | 0 | 114.9 | ||||
| 137 | L | 31.4 | Very low | 45.1 | Very low | 163 Ų | 163 | 115.3 Ų | 115.3 | 85% | 0.853 | 68% | 0.677 | S | S | * | * | trans | -144.6 | 113.5 | 152.4 | -89.6 | 118.8 | 0 | 0 | 0 | 110.1 | ||||
| 138 | Y | 30.6 | Very low | 48.1 | Very low | 218 Ų | 218 | 111.5 Ų | 111.5 | 86% | 0.855 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 10.8 | 129 | 157.7 | -58.2 | -89.8 | 0 | 0 | 0 | 118.7 | ||
| 139 | S | 35 | Very low | 51.3 | Low | 104 Ų | 104 | 106.3 Ų | 106.3 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | cis | -167.3 | -176 | 5.9 | -64.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 140 | P | 44.6 | Very low | 53.9 | Low | 121 Ų | 121 | 103 Ų | 103 | 79% | 0.786 | 59% | 0.592 | S | S | * | * | S | Bend | -111.1 | 114.8 | -95 | 33.7 | -13.7 | 0 | 0 | 0 | 114.2 | |||
| 141 | S | 37.8 | Very low | 56.9 | Low | 115 Ų | 115 | 96.5 Ų | 96.5 | 80% | 0.804 | 56% | 0.557 | S | S | * | * | trans | -152 | 68.4 | 140.1 | 62 | 0 | 0 | 0 | 0 | 106.4 | E143 | S141-E143 PolarHBondContact O-N 2.71Å; S141-E143 VanDerWaalsContact O-N 3.07Å | ||
| 142 | T | 45.6 | Very low | 59.5 | Low | 116 Ų | 116 | 96.6 Ų | 96.6 | 71% | 0.712 | 56% | 0.556 | S | S | * | * | trans | -59.6 | 113.5 | -174.4 | 35.8 | 0 | 0 | 0 | 0 | 109.9 | V144 | T142-V144 PolarHBondContact O-N 3.48Š| ||
| 143 | E | 56.3 | Low | 62.2 | Low | 131 Ų | 131 | 100.3 Ų | 100.3 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | trans | -64.5 | 68.2 | 163.8 | -62 | -180 | 165.7 | 0 | 0 | 108.9 | S141 W145 | S141-E143 PolarHBondContact O-N 2.71Å; S141-E143 VanDerWaalsContact O-N 3.07Å; E143-W145 PolarHBondContact O-N 3.43Å | ||
| 144 | V | 69.4 | Low | 64.8 | Low | 69 Ų | 69 | 100 Ų | 100 | 42% | 0.418 | 55% | 0.546 | S | S | . | . | trans | -80.1 | 104.4 | 179.3 | -172.2 | 0 | 0 | 0 | 0 | 107.4 | T142 Q146 | T142-V144 PolarHBondContact O-N 3.48Å; V144-Q146 HydrophobicContact CG1-CG 4.23Å; V144-Q146 PolarHBondContact O-N 2.93Å | ||
| 145 | W | 82.5 | Confident | 66.8 | Low | 69 Ų | 69 | 99.7 Ų | 99.7 | 26% | 0.261 | 54% | 0.539 | S | S | . | . | trans | -62.3 | 128.4 | 165.3 | -71.3 | 95.9 | 0 | 0 | 0 | 109.7 | L121 E143 L161 V206 S208 V215 | L121-W145 HydrophobicContact CD1-CH2 4.06Å; L121-W145 HydrophobicContact CD1-CZ2 4.19Å; L121-W145 HydrophobicContact CD2-CH2 4.45Å; E143-W145 PolarHBondContact O-N 3.43Å; W145-L161 HydrophobicContact CB-CD1 3.5Å; W145-L161 VanDerWaalsContact CB-CD1 3.5Å; W145-L161 HydrophobicContact CB-CG 3.92Å; W145-L161 HydrophobicContact CG-CD1 4.26Å; W145-V206 HydrophobicContact CD2-CG1 4.36Å; W145-V206 HydrophobicContact CE3-CG1 3.42Å; W145-V206 VanDerWaalsContact CE3-CG1 3.42Å; W145-V206 HydrophobicContact CZ3-CG1 3.88Å; W145-S208 VanDerWaalsContact CD2-CB 3.46Å; W145-V215 HydrophobicContact CH2-CG1 4.34Å | ||
| 146 | Q | 89.7 | Confident | 69.7 | Low | 71 Ų | 71 | 97.6 Ų | 97.6 | 33% | 0.332 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 155.1 | 177.1 | -63.4 | -174.6 | -56.2 | 0 | 0 | 109.2 | V144 M159 V206 F207 | V144-Q146 HydrophobicContact CG1-CG 4.23Å; V144-Q146 PolarHBondContact O-N 2.93Å; Q146-M159 WeakPolarHBondContact CA-O 3.49Å; Q146-V206 CarbonylContact O-C 3.21Å; Q146-V206 WeakPolarHBondContact O-CA 3.44Å; Q146-F207 HydrophobicContact CB-CD1 4.34Å; Q146-F207 HydrophobicContact CB-CD2 4.41Å; Q146-F207 HydrophobicContact CB-CE1 3.77Å; Q146-F207 HydrophobicContact CB-CE2 3.85Å; Q146-F207 HydrophobicContact CB-CZ 3.5Å; Q146-F207 VanDerWaalsContact CB-CZ 3.5Å; Q146-F207 HydrophobicContact CG-CE2 4.45Å; Q146-F207 HydrophobicContact CG-CZ 4.36Å; Q146-F207 PolarHBondContact N-O 2.75Å; Q146-F207 PolarHBondContact O-N 2.82Å; Q146-F207 VanDerWaalsContact OE1-CE2 3.25Å |
| 147 | V | 91.7 | Very high | 71.3 | Confident | 0 Ų | 0 | 96.2 Ų | 96.2 | 0% | 0 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.2 | 173 | 60.6 | 0 | 0 | 0 | 0 | 109.5 | F149 P158 M159 L161 A164 F171 A204 T205 V206 | V147-F149 HydrophobicContact CG1-CE2 4.03Å; V147-F149 HydrophobicContact CG2-CD2 4.46Å; V147-F149 HydrophobicContact CG2-CE2 4.04Å; V147-F149 HydrophobicContact CG2-CZ 4.11Å; V147-P158 CarbonylContact O-C 3.59Å; V147-P158 VanDerWaalsContact O-CA 3.24Å; V147-P158 WeakPolarHBondContact O-CA 3.32Å; V147-M159 HydrophobicContact CG1-CG 3.44Å; V147-M159 VanDerWaalsContact CG1-CG 3.44Å; V147-M159 HydrophobicContact CG1-SD 4.31Å; V147-M159 PolarHBondContact N-O 2.82Å; V147-M159 PolarHBondContact O-N 3.4Å; V147-L161 HydrophobicContact CB-CD2 4.47Å; V147-A164 HydrophobicContact CG1-CB 3.93Å; V147-F171 HydrophobicContact CB-CZ 4.22Å; V147-F171 HydrophobicContact CG1-CE2 4.28Å; V147-F171 HydrophobicContact CG1-CZ 4.39Å; V147-F171 HydrophobicContact CG2-CE1 4.31Å; V147-F171 HydrophobicContact CG2-CE2 4.43Å; V147-F171 HydrophobicContact CG2-CZ 3.73Å; V147-A204 HydrophobicContact CG2-CB 3.97Å; V147-T205 WeakPolarHBondContact CA-O 3.37Å; V147-V206 HydrophobicContact CB-CG2 4.2Å; V147-V206 HydrophobicContact CG2-CG2 4.12Å |
| 148 | T | 92.9 | Very high | 74 | Confident | 40 Ų | 40 | 91.9 Ų | 91.9 | 25% | 0.245 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.4 | 166.5 | -170.4 | 0 | 0 | 0 | 0 | 108.8 | T205 F207 | T148-T205 PolarHBondContact N-O 2.82Å; T148-T205 PolarHBondContact O-N 2.82Å; T148-F207 HydrophobicContact CG2-CE1 4.29Å |
| 149 | F | 93.9 | Very high | 76.9 | Confident | 5 Ų | 5 | 82.1 Ų | 82.1 | 2% | 0.022 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134.8 | 173.7 | -67.4 | -86.3 | 0 | 0 | 0 | 109.4 | V147 L156 M159 Y169 F171 F180 E188 V202 H203 A204 | V147-F149 HydrophobicContact CG1-CE2 4.03Å; V147-F149 HydrophobicContact CG2-CD2 4.46Å; V147-F149 HydrophobicContact CG2-CE2 4.04Å; V147-F149 HydrophobicContact CG2-CZ 4.11Å; F149-L156 HydrophobicContact CB-CD1 3.74Å; F149-M159 HydrophobicContact CD2-CE 3.97Å; F149-M159 HydrophobicContact CE2-CE 3.74Å; F149-M159 HydrophobicContact CE2-CG 4.41Å; F149-M159 HydrophobicContact CE2-SD 3.88Å; F149-Y169 AromaticContact CE1-CD1 3.95Å; F149-Y169 HydrophobicContact CE1-CD1 3.95Å; F149-Y169 HydrophobicContact CE1-CE1 4Å; F149-Y169 HydrophobicContact CE1-CG 4.36Å; F149-Y169 HydrophobicContact CE2-CD2 4.18Å; F149-Y169 HydrophobicContact CE2-CE2 4.27Å; F149-Y169 HydrophobicContact CE2-CG 4.43Å; F149-Y169 AromaticContact CZ-CD1 3.67Å; F149-Y169 HydrophobicContact CZ-CD1 3.67Å; F149-Y169 AromaticContact CZ-CD2 3.8Å; F149-Y169 HydrophobicContact CZ-CD2 3.8Å; F149-Y169 AromaticContact CZ-CE1 3.93Å; F149-Y169 HydrophobicContact CZ-CE1 3.93Å; F149-Y169 HydrophobicContact CZ-CE2 4.06Å; F149-Y169 AromaticContact CZ-CG 3.62Å; F149-Y169 HydrophobicContact CZ-CG 3.62Å; F149-F171 HydrophobicContact CZ-CZ 4.47Å; F149-F180 HydrophobicContact CE1-CE2 4.42Å; F149-F180 AromaticContact CE1-CZ 3.97Å; F149-F180 HydrophobicContact CE1-CZ 3.97Å; F149-E188 HydrophobicContact CB-CB 3.97Å; F149-E188 HydrophobicContact CB-CG 3.97Å; F149-E188 HydrophobicContact CD1-CB 3.76Å; F149-E188 HydrophobicContact CD1-CG 4.08Å; F149-E188 HydrophobicContact CD2-CB 4.16Å; F149-E188 HydrophobicContact CD2-CG 3.53Å; F149-E188 HydrophobicContact CE1-CB 4.25Å; F149-E188 HydrophobicContact CE1-CG 4.46Å; F149-E188 HydrophobicContact CE2-CG 3.97Å; F149-E188 HydrophobicContact CG-CB 3.7Å; F149-E188 HydrophobicContact CG-CG 3.58Å; F149-E188 HydrophobicContact CZ-CG 4.41Å; F149-V202 HydrophobicContact CD1-CG2 4.16Å; F149-V202 HydrophobicContact CE1-CG2 4.15Å; F149-H203 WeakPolarHBondContact CA-O 3.48Å; F149-A204 HydrophobicContact CD1-CB 4.03Å; F149-A204 HydrophobicContact CE1-CB 3.78Å |
| 150 | Q | 91.9 | Very high | 79.4 | Confident | 90 Ų | 90 | 80.1 Ų | 80.1 | 42% | 0.421 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -97.5 | 114.3 | 175.3 | -56.2 | -174.3 | 22.3 | 0 | 0 | 108.8 | H203 T205 | Q150-H203 HydrophobicContact CB-CB 4.04Å; Q150-H203 PolarHBondContact N-O 3.11Å; Q150-H203 PolarHBondContact NE2-CE1 2.64Å; Q150-H203 PolarHBondContact NE2-NE2 3.14Å; Q150-H203 PolarHBondContact OE1-CE1 3.01Å; Q150-H203 PolarHBondContact OE1-ND1 3.27Å; Q150-H203 VanDerWaalsContact OE1-ND1 3.15Å; Q150-T205 PolarHBondContact NE2-OG1 3.03Å |
| 151 | N | 90.4 | Very high | 81.4 | Confident | 24 Ų | 24 | 77 Ų | 77 | 13% | 0.128 | 41% | 0.405 | C | S | . | . | trans | -123.8 | 126.7 | 173.5 | -174.5 | -46.9 | 0 | 0 | 0 | 108.3 | Y153 Q154 L156 | N151-Y153 PolarHBondContact O-N 2.55Å; N151-Y153 WeakPolarHBondContact OD1-CB 3.46Å; N151-Y153 WeakPolarHBondContact OD1-CD2 3.37Å; N151-Y153 PolarHBondContact OD1-N 3.38Å; N151-Q154 PolarHBondContact O-N 3.15Å; N151-Q154 PolarHBondContact OD1-N 2.98Å; N151-L156 HydrophobicContact CB-CD1 3.86Å | ||
| 152 | P | 87.5 | Confident | 83.8 | Confident | 86 Ų | 86 | 75 Ų | 75 | 56% | 0.558 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -66.5 | -19.5 | -176.7 | 26.7 | -34 | 0 | 0 | 0 | 113 | Y190 | P152-Y190 VanDerWaalsContact CD-CD1 3.42Å; P152-Y190 VanDerWaalsContact CD-CE1 3.47Å; P152-Y190 HydrophobicContact CG-CD1 4.29Å; P152-Y190 HydrophobicContact CG-CD2 3.84Å; P152-Y190 HydrophobicContact CG-CE1 4.31Å; P152-Y190 HydrophobicContact CG-CE2 3.87Å; P152-Y190 HydrophobicContact CG-CG 4.06Å |
| 153 | Y | 85.8 | Confident | 85.8 | Confident | 174 Ų | 174 | 73.3 Ų | 73.3 | 68% | 0.682 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -96.6 | -22.5 | -177.5 | -51.9 | -67.4 | 0 | 0 | 0 | 113.2 | N151 Y190 | N151-Y153 PolarHBondContact O-N 2.55Å; N151-Y153 WeakPolarHBondContact OD1-CB 3.46Å; N151-Y153 WeakPolarHBondContact OD1-CD2 3.37Å; N151-Y153 PolarHBondContact OD1-N 3.38Å; Y153-Y190 HydrophobicContact CE2-CD2 4.43Å |
| 154 | Q | 85.6 | Confident | 87.5 | Confident | 120 Ų | 120 | 67 Ų | 67 | 56% | 0.561 | 35% | 0.347 | S | S | * | . | trans | -144 | 137.4 | -175.3 | -176.5 | 174.8 | -6.6 | 0 | 0 | 112.1 | N151 L156 | N151-Q154 PolarHBondContact O-N 3.15Å; N151-Q154 PolarHBondContact OD1-N 2.98Å; Q154-L156 HydrophobicContact CG-CD2 3.99Å; Q154-L156 HydrophobicContact CG-CG 4.4Å; Q154-L156 PolarHBondContact O-N 2.94Å | ||
| 155 | Q | 82.6 | Confident | 88.4 | Confident | 191 Ų | 191 | 70.7 Ų | 70.7 | 89% | 0.893 | 35% | 0.353 | S | S | * | . | B | Isolated β-bridge | trans | -83 | 115.5 | 167.4 | -167.2 | 170.4 | 12.7 | 0 | 0 | 109.7 | ||
| 156 | L | 86.4 | Confident | 88.7 | Confident | 19 Ų | 19 | 75.2 Ų | 75.2 | 10% | 0.099 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -98.1 | 133.5 | -177.5 | -62.9 | 165.2 | 0 | 0 | 0 | 109.7 | F149 N151 Q154 E188 | F149-L156 HydrophobicContact CB-CD1 3.74Å; N151-L156 HydrophobicContact CB-CD1 3.86Å; Q154-L156 HydrophobicContact CG-CD2 3.99Å; Q154-L156 HydrophobicContact CG-CG 4.4Å; Q154-L156 PolarHBondContact O-N 2.94Å; L156-E188 HydrophobicContact CD1-CB 4.24Å; L156-E188 HydrophobicContact CD1-CG 4.07Å |
| 157 | P | 86.1 | Confident | 88.7 | Confident | 95 Ų | 95 | 75.4 Ų | 75.4 | 62% | 0.617 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 149 | 177.2 | 29 | -33.7 | 0 | 0 | 0 | 110.6 | ||
| 158 | P | 87.6 | Confident | 88.6 | Confident | 72 Ų | 72 | 75.4 Ų | 75.4 | 47% | 0.468 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 141.5 | 174 | 28.7 | -33.7 | 0 | 0 | 0 | 110.2 | V147 F207 | V147-P158 CarbonylContact O-C 3.59Å; V147-P158 VanDerWaalsContact O-CA 3.24Å; V147-P158 WeakPolarHBondContact O-CA 3.32Å; P158-F207 HydrophobicContact CB-CE1 4.37Å; P158-F207 HydrophobicContact CB-CZ 4.21Å |
| 159 | M | 91.3 | Very high | 88.5 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 6% | 0.059 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 157.4 | 175.4 | 63 | 179.5 | 78.2 | 0 | 0 | 110.5 | Q146 V147 F149 Q163 A164 E167 Y169 | Q146-M159 WeakPolarHBondContact CA-O 3.49Å; V147-M159 HydrophobicContact CG1-CG 3.44Å; V147-M159 VanDerWaalsContact CG1-CG 3.44Å; V147-M159 HydrophobicContact CG1-SD 4.31Å; V147-M159 PolarHBondContact N-O 2.82Å; V147-M159 PolarHBondContact O-N 3.4Å; F149-M159 HydrophobicContact CD2-CE 3.97Å; F149-M159 HydrophobicContact CE2-CE 3.74Å; F149-M159 HydrophobicContact CE2-CG 4.41Å; F149-M159 HydrophobicContact CE2-SD 3.88Å; M159-Q163 HydrophobicContact CB-CB 4.42Å; M159-Q163 HydrophobicContact CB-CG 4.3Å; M159-A164 HydrophobicContact CG-CB 4.07Å; M159-A164 VanDerWaalsContact SD-CA 3.56Å; M159-A164 HydrophobicContact SD-CB 3.62Å; M159-E167 WeakPolarHBondContact CE-OE2 3.38Å; M159-Y169 HydrophobicContact SD-CD2 4.41Å |
| 160 | N | 88.4 | Confident | 88.4 | Confident | 63 Ų | 63 | 74 Ų | 74 | 34% | 0.337 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 159.9 | 172.5 | 64.2 | 38.5 | 0 | 0 | 0 | 110.3 | S162 Q163 A164 | N160-S162 PolarHBondContact O-N 2.84Å; N160-S162 PolarHBondContact OD1-N 3.2Å; N160-S162 PolarHBondContact OD1-OG 2.52Å; N160-Q163 PolarHBondContact O-N 2.95Å; N160-Q163 WeakPolarHBondContact OD1-CB 3.06Å; N160-Q163 PolarHBondContact OD1-N 2.91Å; N160-A164 PolarHBondContact O-N 2.87Å |
| 161 | L | 86.8 | Confident | 88.4 | Confident | 54 Ų | 54 | 70.6 Ų | 70.6 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -28 | -177.8 | -63.6 | -175.5 | 0 | 0 | 0 | 113.6 | W145 V147 R165 F171 | W145-L161 HydrophobicContact CB-CD1 3.5Å; W145-L161 VanDerWaalsContact CB-CD1 3.5Å; W145-L161 HydrophobicContact CB-CG 3.92Å; W145-L161 HydrophobicContact CG-CD1 4.26Å; V147-L161 HydrophobicContact CB-CD2 4.47Å; L161-R165 WeakPolarHBondContact O-CB 3.41Å; L161-R165 PolarHBondContact O-N 2.81Å; L161-F171 HydrophobicContact CD2-CB 4.27Å; L161-F171 HydrophobicContact CD2-CD2 3.79Å; L161-F171 HydrophobicContact CD2-CE2 4.31Å; L161-F171 HydrophobicContact CD2-CG 3.96Å |
| 162 | S | 86.8 | Confident | 88.2 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 52% | 0.524 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -72.1 | -39.1 | 178.2 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | N160 Q166 | N160-S162 PolarHBondContact O-N 2.84Å; N160-S162 PolarHBondContact OD1-N 3.2Å; N160-S162 PolarHBondContact OD1-OG 2.52Å; S162-Q166 WeakPolarHBondContact O-CG 3.28Å; S162-Q166 PolarHBondContact O-N 2.86Å |
| 163 | Q | 89.3 | Confident | 88 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.1 | -47.1 | 172.9 | 179.6 | -177.7 | -8.6 | 0 | 0 | 109.8 | M159 N160 R165 Q166 E167 | M159-Q163 HydrophobicContact CB-CB 4.42Å; M159-Q163 HydrophobicContact CB-CG 4.3Å; N160-Q163 PolarHBondContact O-N 2.95Å; N160-Q163 WeakPolarHBondContact OD1-CB 3.06Å; N160-Q163 PolarHBondContact OD1-N 2.91Å; Q163-R165 PolarHBondContact O-N 2.91Å; Q163-Q166 WeakPolarHBondContact O-CA 3.32Å; Q163-Q166 WeakPolarHBondContact O-CB 3.28Å; Q163-Q166 PolarHBondContact O-N 2.91Å; Q163-E167 VanDerWaalsContact CG-OE1 3.28Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.04Å; Q163-E167 PolarHBondContact NE2-OE1 3.26Å; Q163-E167 PolarHBondContact O-N 2.92Å |
| 164 | A | 90.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -55.3 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V147 M159 N160 Q166 E167 G168 Y169 F171 | V147-A164 HydrophobicContact CG1-CB 3.93Å; M159-A164 HydrophobicContact CG-CB 4.07Å; M159-A164 VanDerWaalsContact SD-CA 3.56Å; M159-A164 HydrophobicContact SD-CB 3.62Å; N160-A164 PolarHBondContact O-N 2.87Å; A164-Q166 PolarHBondContact O-N 2.02Å; A164-E167 CarbonylContact O-C 3.52Å; A164-E167 PolarHBondContact O-N 3.24Å; A164-G168 PolarHBondContact O-N 3.37Å; A164-Y169 CarbonylContact C-O 3.49Å; A164-Y169 HydrophobicContact CB-CD2 4.34Å; A164-Y169 WeakPolarHBondContact O-CB 3.41Å; A164-Y169 WeakPolarHBondContact O-CD2 3.48Å; A164-Y169 PolarHBondContact O-N 3.22Å; A164-F171 HydrophobicContact CB-CD2 4.44Å; A164-F171 HydrophobicContact CB-CE2 3.97Å |
| 165 | R | 89.4 | Confident | 87 | Confident | 145 Ų | 145 | 63.6 Ų | 63.6 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64 | -37.3 | 175.3 | -175 | 176.7 | -70.6 | 174.8 | -4.8 | 113.4 | L161 Q163 E167 G168 Y169 I170 | L161-R165 WeakPolarHBondContact O-CB 3.41Å; L161-R165 PolarHBondContact O-N 2.81Å; Q163-R165 PolarHBondContact O-N 2.91Å; R165-E167 VanDerWaalsContact C-N 3.27Å; R165-E167 PolarHBondContact O-N 2.94Å; R165-G168 PolarHBondContact O-N 2.97Å; R165-Y169 VanDerWaalsContact CA-O 3.3Å; R165-Y169 WeakPolarHBondContact CA-O 3.29Å; R165-Y169 PolarHBondContact N-O 2.88Å; R165-I170 HydrophobicContact CG-CD1 3.95Å |
| 166 | Q | 88.8 | Confident | 86.9 | Confident | 164 Ų | 164 | 58.7 Ų | 58.7 | 77% | 0.766 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66 | -33.6 | 175.1 | -71.5 | 173.8 | -1.6 | 0 | 0 | 111.6 | S162 Q163 A164 G168 | S162-Q166 WeakPolarHBondContact O-CG 3.28Å; S162-Q166 PolarHBondContact O-N 2.86Å; Q163-Q166 WeakPolarHBondContact O-CA 3.32Å; Q163-Q166 WeakPolarHBondContact O-CB 3.28Å; Q163-Q166 PolarHBondContact O-N 2.91Å; A164-Q166 PolarHBondContact O-N 2.02Å; Q166-G168 VanDerWaalsContact C-N 3.31Å |
| 167 | E | 90.2 | Very high | 86.9 | Confident | 75 Ų | 75 | 58.2 Ų | 58.2 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -81.1 | -10.7 | 178.2 | -65.9 | 176.5 | -160.6 | 0 | 0 | 112.7 | M159 Q163 A164 R165 Y169 | M159-E167 WeakPolarHBondContact CE-OE2 3.38Å; Q163-E167 VanDerWaalsContact CG-OE1 3.28Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.04Å; Q163-E167 PolarHBondContact NE2-OE1 3.26Å; Q163-E167 PolarHBondContact O-N 2.92Å; A164-E167 CarbonylContact O-C 3.52Å; A164-E167 PolarHBondContact O-N 3.24Å; R165-E167 VanDerWaalsContact C-N 3.27Å; R165-E167 PolarHBondContact O-N 2.94Å; E167-Y169 HydrophobicContact CB-CD2 3.99Å; E167-Y169 HydrophobicContact CB-CE2 3.91Å |
| 168 | G | 88.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 108.8 | 4.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | A164 R165 Q166 | A164-G168 PolarHBondContact O-N 3.37Å; R165-G168 PolarHBondContact O-N 2.97Å; Q166-G168 VanDerWaalsContact C-N 3.31Å |
| 169 | Y | 92.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -86.8 | 116.3 | 174.7 | -55.8 | -67.4 | 0 | 0 | 0 | 110.9 | F149 M159 A164 R165 E167 F180 T182 Q186 E188 | F149-Y169 AromaticContact CE1-CD1 3.95Å; F149-Y169 HydrophobicContact CE1-CD1 3.95Å; F149-Y169 HydrophobicContact CE1-CE1 4Å; F149-Y169 HydrophobicContact CE1-CG 4.36Å; F149-Y169 HydrophobicContact CE2-CD2 4.18Å; F149-Y169 HydrophobicContact CE2-CE2 4.27Å; F149-Y169 HydrophobicContact CE2-CG 4.43Å; F149-Y169 AromaticContact CZ-CD1 3.67Å; F149-Y169 HydrophobicContact CZ-CD1 3.67Å; F149-Y169 AromaticContact CZ-CD2 3.8Å; F149-Y169 HydrophobicContact CZ-CD2 3.8Å; F149-Y169 AromaticContact CZ-CE1 3.93Å; F149-Y169 HydrophobicContact CZ-CE1 3.93Å; F149-Y169 HydrophobicContact CZ-CE2 4.06Å; F149-Y169 AromaticContact CZ-CG 3.62Å; F149-Y169 HydrophobicContact CZ-CG 3.62Å; M159-Y169 HydrophobicContact SD-CD2 4.41Å; A164-Y169 CarbonylContact C-O 3.49Å; A164-Y169 HydrophobicContact CB-CD2 4.34Å; A164-Y169 WeakPolarHBondContact O-CB 3.41Å; A164-Y169 WeakPolarHBondContact O-CD2 3.48Å; A164-Y169 PolarHBondContact O-N 3.22Å; R165-Y169 VanDerWaalsContact CA-O 3.3Å; R165-Y169 WeakPolarHBondContact CA-O 3.29Å; R165-Y169 PolarHBondContact N-O 2.88Å; E167-Y169 HydrophobicContact CB-CD2 3.99Å; E167-Y169 HydrophobicContact CB-CE2 3.91Å; Y169-F180 AromaticContact CD1-CE2 3.89Å; Y169-F180 HydrophobicContact CD1-CE2 3.89Å; Y169-F180 HydrophobicContact CD1-CZ 4.07Å; Y169-F180 HydrophobicContact CG-CE2 4.42Å; Y169-T182 WeakPolarHBondContact CD1-OG1 3.39Å; Y169-T182 WeakPolarHBondContact CE1-OG1 3.23Å; Y169-Q186 HydrophobicContact CE1-CB 4.11Å; Y169-Q186 HydrophobicContact CE1-CG 4.3Å; Y169-Q186 WeakPolarHBondContact OH-CB 3.2Å; Y169-Q186 PolarHBondContact OH-OE1 3.47Å; Y169-E188 HydrophobicContact CE1-CB 4.4Å; Y169-E188 HydrophobicContact CE2-CG 4.16Å; Y169-E188 WeakPolarHBondContact OH-CB 3.34Å; Y169-E188 VanDerWaalsContact OH-CD 3.3Å; Y169-E188 WeakPolarHBondContact OH-CG 3.38Å; Y169-E188 PolarHBondContact OH-OE2 2.85Å | ||
| 170 | I | 91.8 | Very high | 87.5 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.2 | -177 | -54.4 | -51.1 | 0 | 0 | 0 | 109.6 | K41 R165 F180 R181 | K41-I170 HydrophobicContact CB-CG1 4.41Å; K41-I170 WeakPolarHBondContact O-CG1 3.42Å; R165-I170 HydrophobicContact CG-CD1 3.95Å; I170-F180 CarbonylContact O-C 3.59Å; I170-F180 WeakPolarHBondContact O-CA 3.48Å; I170-R181 HydrophobicContact CB-CB 4.35Å; I170-R181 PolarHBondContact N-O 3.1Å; I170-R181 PolarHBondContact O-N 2.81Å |
| 171 | F | 90.6 | Very high | 87.8 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.2 | 173 | -62 | -87.3 | 0 | 0 | 0 | 108.8 | V147 F149 L161 A164 V179 F180 A204 V206 L219 | V147-F171 HydrophobicContact CB-CZ 4.22Å; V147-F171 HydrophobicContact CG1-CE2 4.28Å; V147-F171 HydrophobicContact CG1-CZ 4.39Å; V147-F171 HydrophobicContact CG2-CE1 4.31Å; V147-F171 HydrophobicContact CG2-CE2 4.43Å; V147-F171 HydrophobicContact CG2-CZ 3.73Å; F149-F171 HydrophobicContact CZ-CZ 4.47Å; L161-F171 HydrophobicContact CD2-CB 4.27Å; L161-F171 HydrophobicContact CD2-CD2 3.79Å; L161-F171 HydrophobicContact CD2-CE2 4.31Å; L161-F171 HydrophobicContact CD2-CG 3.96Å; A164-F171 HydrophobicContact CB-CD2 4.44Å; A164-F171 HydrophobicContact CB-CE2 3.97Å; F171-V179 WeakPolarHBondContact CA-O 3.48Å; F171-F180 HydrophobicContact CD1-CB 3.93Å; F171-F180 AromaticContact CD1-CD2 3.83Å; F171-F180 HydrophobicContact CD1-CD2 3.83Å; F171-F180 HydrophobicContact CD1-CG 4.22Å; F171-F180 HydrophobicContact CE1-CB 3.77Å; F171-F180 AromaticContact CE1-CD2 3.22Å; F171-F180 HydrophobicContact CE1-CD2 3.22Å; F171-F180 AromaticContact CE1-CE2 3.95Å; F171-F180 HydrophobicContact CE1-CE2 3.95Å; F171-F180 AromaticContact CE1-CG 3.64Å; F171-F180 HydrophobicContact CE1-CG 3.64Å; F171-F180 AromaticContact CE2-CD2 4Å; F171-F180 HydrophobicContact CE2-CD2 4Å; F171-F180 HydrophobicContact CE2-CE2 4.15Å; F171-F180 HydrophobicContact CG-CD2 4.43Å; F171-F180 AromaticContact CZ-CD2 3.3Å; F171-F180 HydrophobicContact CZ-CD2 3.3Å; F171-F180 AromaticContact CZ-CE2 3.54Å; F171-F180 HydrophobicContact CZ-CE2 3.54Å; F171-F180 HydrophobicContact CZ-CG 4.12Å; F171-F180 HydrophobicContact CZ-CZ 4.5Å; F171-A204 HydrophobicContact CE1-CB 4.33Å; F171-A204 HydrophobicContact CZ-CB 4.29Å; F171-V206 HydrophobicContact CD1-CG2 3.55Å; F171-V206 HydrophobicContact CE1-CG2 3.35Å; F171-V206 HydrophobicContact CG-CG2 4.47Å; F171-V206 HydrophobicContact CZ-CG2 4.16Å; F171-L219 HydrophobicContact CD1-CD1 4.06Å; F171-L219 HydrophobicContact CE1-CD1 3.94Å |
| 172 | D | 86.1 | Confident | 88.2 | Confident | 38 Ų | 38 | 45 Ų | 45 | 20% | 0.203 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 149.8 | 177.5 | -78.5 | -27.5 | 0 | 0 | 0 | 110.6 | K68 V174 V179 | K68-D172 IonicContact NZ-OD2 3.37Å; D172-V174 HydrophobicContact CB-CG2 4.27Å; D172-V179 HydrophobicContact CB-CB 4.44Å; D172-V179 PolarHBondContact N-O 3.42Å; D172-V179 PolarHBondContact O-N 3.13Å |
| 173 | H | 82.6 | Confident | 88.7 | Confident | 98 Ų | 98 | 42.2 Ų | 42.2 | 45% | 0.454 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 117.7 | 169.2 | -174.9 | -91.5 | 0 | 0 | 0 | 108.2 | H175 R177 | H173-H175 PolarHBondContact CE1-O 3.23Å; H173-R177 WeakPolarHBondContact CA-O 3.34Å |
| 174 | V | 76.6 | Confident | 88.9 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 116.9 | -175.2 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | F62 K68 D172 D176 R177 | F62-V174 HydrophobicContact CD1-CB 4.04Å; F62-V174 HydrophobicContact CD1-CG1 4Å; F62-V174 HydrophobicContact CD1-CG2 4.12Å; F62-V174 HydrophobicContact CE1-CB 4.18Å; F62-V174 HydrophobicContact CE1-CG1 4.03Å; K68-V174 HydrophobicContact CB-CG1 4.42Å; K68-V174 HydrophobicContact CD-CB 4.45Å; K68-V174 HydrophobicContact CD-CG1 3.78Å; K68-V174 HydrophobicContact CD-CG2 3.79Å; K68-V174 HydrophobicContact CG-CG1 4.09Å; D172-V174 HydrophobicContact CB-CG2 4.27Å; V174-D176 PolarHBondContact O-N 2.91Å; V174-R177 PolarHBondContact N-O 2.93Å; V174-R177 PolarHBondContact O-N 2.83Å |
| 175 | H | 75.3 | Confident | 89.1 | Confident | 116 Ų | 116 | 43.1 Ų | 43.1 | 54% | 0.537 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | -118.3 | -172.5 | -59.7 | 92.8 | 0 | 0 | 0 | 111.9 | H173 | H173-H175 PolarHBondContact CE1-O 3.23Š|
| 176 | D | 79.3 | Confident | 89.3 | Confident | 88 Ų | 88 | 38 Ų | 38 | 47% | 0.471 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 29 | 177.1 | 66.1 | -34.2 | 0 | 0 | 0 | 111.5 | S119 V174 | S119-D176 WeakPolarHBondContact CA-O 3.28Å; S119-D176 WeakPolarHBondContact CB-O 3.38Å; S119-D176 PolarHBondContact N-O 2.78Å; V174-D176 PolarHBondContact O-N 2.91Å |
| 177 | R | 87.1 | Confident | 89.4 | Confident | 9 Ų | 9 | 34.8 Ų | 34.8 | 3% | 0.034 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 143.2 | -175.8 | -53.9 | -170.1 | 70.1 | 89.8 | -3.2 | 113.5 | S102 P103 S116 V117 H173 V174 | S102-R177 VanDerWaalsContact O-CZ 3.3Å; S102-R177 PolarHBondContact O-NH1 2.93Å; S102-R177 PolarHBondContact O-NH2 2.92Å; P103-R177 PolarHBondContact O-NH2 2.82Å; S116-R177 PolarHBondContact O-NH2 2.67Å; S116-R177 PolarHBondContact OG-NE 2.92Å; V117-R177 CarbonylContact O-C 3.56Å; V117-R177 WeakPolarHBondContact O-CA 3.46Å; V117-R177 WeakPolarHBondContact O-CB 3.47Å; H173-R177 WeakPolarHBondContact CA-O 3.34Å; V174-R177 PolarHBondContact N-O 2.93Å; V174-R177 PolarHBondContact O-N 2.83Å |
| 178 | I | 90.5 | Very high | 89.5 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.9 | 169 | -64.7 | 163 | 0 | 0 | 0 | 107.7 | S116 V117 L121 V217 L219 | S116-I178 WeakPolarHBondContact CA-O 3.19Å; V117-I178 HydrophobicContact CG2-CB 4Å; V117-I178 PolarHBondContact N-O 3.48Å; V117-I178 PolarHBondContact O-N 3.2Å; L121-I178 HydrophobicContact CD1-CD1 4.27Å; I178-V217 HydrophobicContact CD1-CB 4.16Å; I178-V217 HydrophobicContact CD1-CG1 3.93Å; I178-V217 HydrophobicContact CD1-CG2 3.57Å; I178-L219 HydrophobicContact CG2-CD1 3.82Å; I178-L219 HydrophobicContact CG2-CD2 4.1Å |
| 179 | V | 91.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.2 | -180 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | F62 E114 V115 F171 D172 | F62-V179 HydrophobicContact CB-CG1 4.06Å; F62-V179 HydrophobicContact CB-CG2 4.17Å; F62-V179 HydrophobicContact CD1-CG2 3.9Å; F62-V179 HydrophobicContact CD2-CG1 4.27Å; F62-V179 HydrophobicContact CD2-CG2 3.87Å; F62-V179 HydrophobicContact CE1-CG2 4.24Å; F62-V179 HydrophobicContact CE2-CG2 4.19Å; F62-V179 HydrophobicContact CG-CG1 4.3Å; F62-V179 HydrophobicContact CG-CG2 3.71Å; F62-V179 HydrophobicContact CZ-CG2 4.37Å; E114-V179 HydrophobicContact CG-CG1 3.85Å; V115-V179 CarbonylContact O-C 3.57Å; V115-V179 VanDerWaalsContact O-CA 3.31Å; V115-V179 WeakPolarHBondContact O-CA 3.48Å; F171-V179 WeakPolarHBondContact CA-O 3.48Å; D172-V179 HydrophobicContact CB-CB 4.44Å; D172-V179 PolarHBondContact N-O 3.42Å; D172-V179 PolarHBondContact O-N 3.13Å |
| 180 | F | 95.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.4 | 169.3 | 164.5 | -124.1 | 0 | 0 | 0 | 109.4 | E114 V115 F149 Y169 I170 F171 T182 V202 A204 L219 | E114-F180 CarbonylContact C-O 3.49Å; E114-F180 VanDerWaalsContact CA-O 3.32Å; E114-F180 WeakPolarHBondContact CA-O 3.28Å; V115-F180 HydrophobicContact CG1-CB 3.76Å; V115-F180 HydrophobicContact CG1-CD1 3.7Å; V115-F180 HydrophobicContact CG1-CG 4.2Å; V115-F180 PolarHBondContact N-O 3.38Å; V115-F180 PolarHBondContact O-N 2.87Å; F149-F180 HydrophobicContact CE1-CE2 4.42Å; F149-F180 AromaticContact CE1-CZ 3.97Å; F149-F180 HydrophobicContact CE1-CZ 3.97Å; Y169-F180 AromaticContact CD1-CE2 3.89Å; Y169-F180 HydrophobicContact CD1-CE2 3.89Å; Y169-F180 HydrophobicContact CD1-CZ 4.07Å; Y169-F180 HydrophobicContact CG-CE2 4.42Å; I170-F180 CarbonylContact O-C 3.59Å; I170-F180 WeakPolarHBondContact O-CA 3.48Å; F171-F180 HydrophobicContact CD1-CB 3.93Å; F171-F180 AromaticContact CD1-CD2 3.83Å; F171-F180 HydrophobicContact CD1-CD2 3.83Å; F171-F180 HydrophobicContact CD1-CG 4.22Å; F171-F180 HydrophobicContact CE1-CB 3.77Å; F171-F180 AromaticContact CE1-CD2 3.22Å; F171-F180 HydrophobicContact CE1-CD2 3.22Å; F171-F180 AromaticContact CE1-CE2 3.95Å; F171-F180 HydrophobicContact CE1-CE2 3.95Å; F171-F180 AromaticContact CE1-CG 3.64Å; F171-F180 HydrophobicContact CE1-CG 3.64Å; F171-F180 AromaticContact CE2-CD2 4Å; F171-F180 HydrophobicContact CE2-CD2 4Å; F171-F180 HydrophobicContact CE2-CE2 4.15Å; F171-F180 HydrophobicContact CG-CD2 4.43Å; F171-F180 AromaticContact CZ-CD2 3.3Å; F171-F180 HydrophobicContact CZ-CD2 3.3Å; F171-F180 AromaticContact CZ-CE2 3.54Å; F171-F180 HydrophobicContact CZ-CE2 3.54Å; F171-F180 HydrophobicContact CZ-CG 4.12Å; F171-F180 HydrophobicContact CZ-CZ 4.5Å; F180-T182 HydrophobicContact CE1-CG2 4.23Å; F180-T182 HydrophobicContact CZ-CG2 3.8Å; F180-V202 HydrophobicContact CE1-CB 4.47Å; F180-V202 HydrophobicContact CE1-CG1 3.87Å; F180-V202 HydrophobicContact CE1-CG2 3.8Å; F180-V202 HydrophobicContact CZ-CG1 4.44Å; F180-V202 HydrophobicContact CZ-CG2 3.79Å; F180-A204 HydrophobicContact CD1-CB 3.98Å; F180-A204 HydrophobicContact CE1-CB 3.76Å; F180-A204 HydrophobicContact CE2-CB 4.47Å; F180-A204 HydrophobicContact CG-CB 4.44Å; F180-A204 HydrophobicContact CZ-CB 4.03Å; F180-L219 HydrophobicContact CB-CB 3.98Å; F180-L219 HydrophobicContact CB-CD1 3.73Å; F180-L219 HydrophobicContact CB-CG 4.28Å; F180-L219 HydrophobicContact CD1-CB 4.05Å; F180-L219 HydrophobicContact CG-CB 4.33Å |
| 181 | R | 95.1 | Very high | 90 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 143.6 | 177.5 | -170.4 | -172.6 | -52.5 | 116.7 | 1.1 | 111 | A40 K41 C42 G43 F62 Y112 M113 E114 I170 | A40-R181 WeakPolarHBondContact O-CD 3.44Å; K41-R181 WeakPolarHBondContact O-CD 3.47Å; K41-R181 PolarHBondContact O-NH1 3.1Å; C42-R181 VanDerWaalsContact C-NH1 3.27Å; C42-R181 PolarHBondContact O-NH1 2.91Å; G43-R181 VanDerWaalsContact CA-NE 3.28Å; F62-R181 VanDerWaalsContact C-NH2 3.26Å; F62-R181 PolarHBondContact O-NH2 3.41Å; Y112-R181 HydrophobicContact CD2-CG 3.65Å; Y112-R181 HydrophobicContact CE2-CG 4.27Å; Y112-R181 HydrophobicContact CG-CG 4.19Å; M113-R181 VanDerWaalsContact O-CA 3.3Å; M113-R181 WeakPolarHBondContact O-CA 3.24Å; M113-R181 WeakPolarHBondContact O-CG 3.47Å; E114-R181 HydrophobicContact CB-CB 4.46Å; E114-R181 HydrophobicContact CB-CG 4.22Å; E114-R181 IonicContact OE2-CZ 3.33Å; E114-R181 IonicContact OE2-NE 3.51Å; E114-R181 PolarHBondContact OE2-NE 2.82Å; E114-R181 IonicContact OE2-NH2 2.65Å; E114-R181 PolarHBondContact OE2-NH2 2.75Å; I170-R181 HydrophobicContact CB-CB 4.35Å; I170-R181 PolarHBondContact N-O 3.1Å; I170-R181 PolarHBondContact O-N 2.81Å |
| 182 | T | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 143.9 | 174.5 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | Y112 M113 Y169 F180 Q186 V202 | Y112-T182 WeakPolarHBondContact CA-O 3.45Å; Y112-T182 WeakPolarHBondContact CB-O 3.37Å; M113-T182 HydrophobicContact CB-CG2 4.32Å; M113-T182 HydrophobicContact CE-CG2 4.09Å; M113-T182 PolarHBondContact N-O 3.42Å; M113-T182 PolarHBondContact O-N 2.92Å; Y169-T182 WeakPolarHBondContact CD1-OG1 3.39Å; Y169-T182 WeakPolarHBondContact CE1-OG1 3.23Å; F180-T182 HydrophobicContact CE1-CG2 4.23Å; F180-T182 HydrophobicContact CZ-CG2 3.8Å; T182-Q186 WeakPolarHBondContact OG1-CG 3.24Å; T182-V202 HydrophobicContact CG2-CB 4.34Å; T182-V202 HydrophobicContact CG2-CG1 3.75Å; T182-V202 HydrophobicContact CG2-CG2 4.25Å |
| 183 | P | 95.7 | Very high | 90.5 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 157.7 | 164.5 | -19.7 | 32.2 | 0 | 0 | 0 | 111.4 | A40 K41 Q186 | A40-P183 HydrophobicContact CB-CB 3.93Å; A40-P183 HydrophobicContact CB-CG 3.87Å; K41-P183 HydrophobicContact CG-CG 4.08Å; P183-Q186 HydrophobicContact CB-CG 4.45Å; P183-Q186 WeakPolarHBondContact O-CG 3.35Å |
| 184 | Y | 95 | Very high | 90.9 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -66.7 | 158.6 | 167.8 | -70.7 | -77.1 | 0 | 0 | 0 | 111.7 | C108 E109 N111 Y112 M113 Q186 E200 C223 M225 R329 | C108-Y184 WeakPolarHBondContact CA-OH 3.32Å; C108-Y184 WeakPolarHBondContact CB-OH 3.27Å; E109-Y184 WeakPolarHBondContact O-CE2 3.19Å; E109-Y184 PolarHBondContact O-OH 3.08Å; N111-Y184 VanDerWaalsContact C-CD2 3.43Å; Y112-Y184 WeakPolarHBondContact O-CE2 3.46Å; M113-Y184 HydrophobicContact CE-CD1 3.84Å; M113-Y184 HydrophobicContact CE-CE1 4.13Å; M113-Y184 HydrophobicContact CG-CD1 3.78Å; M113-Y184 HydrophobicContact CG-CE1 3.22Å; M113-Y184 HydrophobicContact CG-CE2 4.25Å; M113-Y184 HydrophobicContact CG-CG 4.49Å; M113-Y184 VanDerWaalsContact CG-CZ 3.5Å; M113-Y184 HydrophobicContact SD-CD1 3.92Å; M113-Y184 HydrophobicContact SD-CE1 3.57Å; M113-Y184 VanDerWaalsContact SD-CE1 3.57Å; Y184-Q186 PolarHBondContact O-N 2.99Å; Y184-E200 HydrophobicContact CD1-CB 4.46Å; Y184-E200 WeakPolarHBondContact CD1-OE2 3.25Å; Y184-C223 HydrophobicContact CE1-CB 3.88Å; Y184-C223 PolarHBondContact OH-SG 2.83Å; Y184-C223 VanDerWaalsContact OH-SG 3.41Å; Y184-M225 HydrophobicContact CD1-CE 4.05Å; Y184-M225 HydrophobicContact CD1-SD 3.95Å; Y184-M225 HydrophobicContact CE1-CE 4.4Å; Y184-M225 HydrophobicContact CE1-SD 3.77Å; Y184-M225 HydrophobicContact CG-CE 4.5Å; Y184-R329 PolarHBondContact OH-NH2 2.73Å |
| 185 | G | 93.7 | Very high | 91.5 | Very high | 57 Ų | 57 | 46.6 Ų | 46.6 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 73 | 22.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | E200 | G185-E200 PolarHBondContact N-OE1 2.95Å; G185-E200 PolarHBondContact N-OE2 3.03Å |
| 186 | Q | 92.9 | Very high | 92.1 | Very high | 36 Ų | 36 | 43.5 Ų | 43.5 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | trans | -77.5 | 148.8 | -179.4 | -75 | -77.1 | -8.8 | 0 | 0 | 111.7 | Y169 T182 P183 Y184 E188 S189 | Y169-Q186 HydrophobicContact CE1-CB 4.11Å; Y169-Q186 HydrophobicContact CE1-CG 4.3Å; Y169-Q186 WeakPolarHBondContact OH-CB 3.2Å; Y169-Q186 PolarHBondContact OH-OE1 3.47Å; T182-Q186 WeakPolarHBondContact OG1-CG 3.24Å; P183-Q186 HydrophobicContact CB-CG 4.45Å; P183-Q186 WeakPolarHBondContact O-CG 3.35Å; Y184-Q186 PolarHBondContact O-N 2.99Å; Q186-E188 PolarHBondContact O-N 3.05Å; Q186-E188 VanDerWaalsContact O-N 3.15Å; Q186-S189 PolarHBondContact N-OG 2.85Å; Q186-S189 PolarHBondContact O-N 2.77Å; Q186-S189 PolarHBondContact O-OG 3.45Å | ||
| 187 | P | 91.1 | Very high | 92.8 | Very high | 98 Ų | 98 | 39.8 Ų | 39.8 | 64% | 0.636 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -30.7 | -173.1 | -17.8 | 28.9 | 0 | 0 | 0 | 113.9 | S189 | P187-S189 VanDerWaalsContact C-N 3.32Š|
| 188 | E | 92.7 | Very high | 93.2 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 12% | 0.117 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.6 | 178.7 | -72.5 | 47.2 | -144.5 | 0 | 0 | 112.7 | F149 L156 Y169 Q186 | F149-E188 HydrophobicContact CB-CB 3.97Å; F149-E188 HydrophobicContact CB-CG 3.97Å; F149-E188 HydrophobicContact CD1-CB 3.76Å; F149-E188 HydrophobicContact CD1-CG 4.08Å; F149-E188 HydrophobicContact CD2-CB 4.16Å; F149-E188 HydrophobicContact CD2-CG 3.53Å; F149-E188 HydrophobicContact CE1-CB 4.25Å; F149-E188 HydrophobicContact CE1-CG 4.46Å; F149-E188 HydrophobicContact CE2-CG 3.97Å; F149-E188 HydrophobicContact CG-CB 3.7Å; F149-E188 HydrophobicContact CG-CG 3.58Å; F149-E188 HydrophobicContact CZ-CG 4.41Å; L156-E188 HydrophobicContact CD1-CB 4.24Å; L156-E188 HydrophobicContact CD1-CG 4.07Å; Y169-E188 HydrophobicContact CE1-CB 4.4Å; Y169-E188 HydrophobicContact CE2-CG 4.16Å; Y169-E188 WeakPolarHBondContact OH-CB 3.34Å; Y169-E188 VanDerWaalsContact OH-CD 3.3Å; Y169-E188 WeakPolarHBondContact OH-CG 3.38Å; Y169-E188 PolarHBondContact OH-OE2 2.85Å; Q186-E188 PolarHBondContact O-N 3.05Å; Q186-E188 VanDerWaalsContact O-N 3.15Å |
| 189 | S | 94.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | trans | -84.6 | 164.4 | 172.9 | 78.3 | 0 | 0 | 0 | 0 | 111 | Q186 P187 E200 V201 | Q186-S189 PolarHBondContact N-OG 2.85Å; Q186-S189 PolarHBondContact O-N 2.77Å; Q186-S189 PolarHBondContact O-OG 3.45Å; P187-S189 VanDerWaalsContact C-N 3.32Å; S189-E200 WeakPolarHBondContact CB-OE1 3.26Å; S189-E200 PolarHBondContact OG-OE1 2.79Å; S189-V201 CarbonylContact C-O 3.5Å; S189-V201 VanDerWaalsContact CA-O 3.31Å; S189-V201 WeakPolarHBondContact CA-O 3.5Å; S189-V201 WeakPolarHBondContact CB-O 3.49Å | ||
| 190 | Y | 94.6 | Very high | 93.8 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 149.5 | 175.5 | 63.7 | -87.7 | 0 | 0 | 0 | 111.3 | P152 Y153 T192 V201 | P152-Y190 VanDerWaalsContact CD-CD1 3.42Å; P152-Y190 VanDerWaalsContact CD-CE1 3.47Å; P152-Y190 HydrophobicContact CG-CD1 4.29Å; P152-Y190 HydrophobicContact CG-CD2 3.84Å; P152-Y190 HydrophobicContact CG-CE1 4.31Å; P152-Y190 HydrophobicContact CG-CE2 3.87Å; P152-Y190 HydrophobicContact CG-CG 4.06Å; Y153-Y190 HydrophobicContact CE2-CD2 4.43Å; Y190-T192 HydrophobicContact CE2-CG2 4.15Å; Y190-V201 HydrophobicContact CD1-CB 4.47Å; Y190-V201 HydrophobicContact CD2-CB 4.44Å; Y190-V201 HydrophobicContact CE1-CB 3.94Å; Y190-V201 HydrophobicContact CE1-CG1 3.97Å; Y190-V201 HydrophobicContact CE2-CB 3.9Å; Y190-V201 HydrophobicContact CE2-CG1 4.46Å; Y190-V201 HydrophobicContact CE2-CG2 4.21Å; Y190-V201 PolarHBondContact N-O 3.26Å; Y190-V201 PolarHBondContact O-N 3.16Å; Y190-V201 WeakPolarHBondContact OH-CG1 3.18Å |
| 191 | H | 94.2 | Very high | 93.8 | Very high | 109 Ų | 109 | 42 Ų | 42 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 135.8 | 173.7 | -62 | -83 | 0 | 0 | 0 | 110.1 | V199 E200 | H191-V199 WeakPolarHBondContact CA-O 3.4Å; H191-E200 IonicContact CE1-OE2 2.81Å; H191-E200 PolarHBondContact CE1-OE2 3.29Å; H191-E200 VanDerWaalsContact CE1-OE2 3.26Å; H191-E200 IonicContact NE2-OE2 2.72Å |
| 192 | T | 94.4 | Very high | 93.9 | Very high | 51 Ų | 51 | 42 Ų | 42 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 155.6 | 174.1 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | Y190 V194 V199 V201 | Y190-T192 HydrophobicContact CE2-CG2 4.15Å; T192-V194 HydrophobicContact CG2-CG2 4.08Å; T192-V199 HydrophobicContact CG2-CB 4.41Å; T192-V199 PolarHBondContact N-O 3.47Å; T192-V199 PolarHBondContact O-N 3.08Å; T192-V201 HydrophobicContact CG2-CG2 4.07Å |
| 193 | E | 93.3 | Very high | 93.8 | Very high | 145 Ų | 145 | 43.4 Ų | 43.4 | 68% | 0.678 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.1 | 170.9 | -165.9 | -178.7 | 111.4 | 0 | 0 | 109.1 | G196 V197 | E193-G196 WeakPolarHBondContact OE1-CA 3.41Å; E193-V197 WeakPolarHBondContact CA-O 3.47Å |
| 194 | V | 91.2 | Very high | 93.8 | Very high | 45 Ų | 45 | 42.6 Ų | 42.6 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117.9 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 107 | T192 G196 V197 V199 P240 | T192-V194 HydrophobicContact CG2-CG2 4.08Å; V194-G196 PolarHBondContact O-N 2.91Å; V194-G196 VanDerWaalsContact O-N 3.1Å; V194-V197 PolarHBondContact N-O 2.74Å; V194-V197 PolarHBondContact O-N 2.97Å; V194-V199 HydrophobicContact CB-CG2 4.1Å; V194-V199 HydrophobicContact CG2-CB 4.33Å; V194-V199 HydrophobicContact CG2-CG2 3.98Å; V194-P240 HydrophobicContact CB-CB 4.25Å; V194-P240 HydrophobicContact CB-CG 3.8Å; V194-P240 HydrophobicContact CG1-CB 3.79Å; V194-P240 HydrophobicContact CG1-CG 3.93Å |
| 195 | T | 89.3 | Confident | 93.6 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 42% | 0.423 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 35.8 | 179.3 | 59 | 0 | 0 | 0 | 0 | 114.2 | T279 | T195-T279 WeakPolarHBondContact CB-OG1 3.36Å; T195-T279 PolarHBondContact O-OG1 2.92Å; T195-T279 PolarHBondContact OG1-OG1 3.29Å |
| 196 | G | 88.2 | Confident | 93.5 | Very high | 51 Ų | 51 | 39 Ų | 39 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E193 V194 | E193-G196 WeakPolarHBondContact OE1-CA 3.41Å; V194-G196 PolarHBondContact O-N 2.91Å; V194-G196 VanDerWaalsContact O-N 3.1Å |
| 197 | V | 93.7 | Very high | 93.2 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 131.7 | 179.8 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | E193 V194 S224 D226 P240 T279 | E193-V197 WeakPolarHBondContact CA-O 3.47Å; V194-V197 PolarHBondContact N-O 2.74Å; V194-V197 PolarHBondContact O-N 2.97Å; V197-S224 WeakPolarHBondContact CG1-OG 3.19Å; V197-D226 HydrophobicContact CG1-CB 4.21Å; V197-P240 HydrophobicContact CB-CG 4Å; V197-P240 HydrophobicContact CG1-CG 4.44Å; V197-P240 HydrophobicContact CG2-CG 4.44Å; V197-T279 HydrophobicContact CG2-CG2 3.47Å; V197-T279 VanDerWaalsContact CG2-CG2 3.47Å |
| 198 | P | 95.8 | Very high | 92.8 | Very high | 62 Ų | 62 | 34.8 Ų | 34.8 | 40% | 0.403 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 133.1 | 174 | 29.3 | -34.6 | 0 | 0 | 0 | 110.6 | M225 | P198-M225 HydrophobicContact CB-CB 4.33Å; P198-M225 HydrophobicContact CG-CB 4.42Å; P198-M225 PolarHBondContact O-N 3.25Å |
| 199 | V | 96.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133 | -178.7 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | H191 T192 V194 V201 A222 C223 P240 L243 | H191-V199 WeakPolarHBondContact CA-O 3.4Å; T192-V199 HydrophobicContact CG2-CB 4.41Å; T192-V199 PolarHBondContact N-O 3.47Å; T192-V199 PolarHBondContact O-N 3.08Å; V194-V199 HydrophobicContact CB-CG2 4.1Å; V194-V199 HydrophobicContact CG2-CB 4.33Å; V194-V199 HydrophobicContact CG2-CG2 3.98Å; V199-V201 HydrophobicContact CG1-CG2 3.76Å; V199-A222 HydrophobicContact CG1-CB 4.11Å; V199-C223 WeakPolarHBondContact CA-O 3.34Å; V199-C223 WeakPolarHBondContact CG1-O 3.48Å; V199-P240 HydrophobicContact CG2-CG 3.87Å; V199-L243 HydrophobicContact CG1-CD2 3.86Å; V199-L243 HydrophobicContact CG2-CD2 3.86Å |
| 200 | E | 97.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131.8 | 165.2 | -170.2 | 174.9 | 153.8 | 0 | 0 | 109.4 | M113 Y184 G185 S189 H191 A222 C223 M225 | M113-E200 HydrophobicContact CE-CG 4.07Å; M113-E200 WeakPolarHBondContact CE-OE1 3.43Å; Y184-E200 HydrophobicContact CD1-CB 4.46Å; Y184-E200 WeakPolarHBondContact CD1-OE2 3.25Å; G185-E200 PolarHBondContact N-OE1 2.95Å; G185-E200 PolarHBondContact N-OE2 3.03Å; S189-E200 WeakPolarHBondContact CB-OE1 3.26Å; S189-E200 PolarHBondContact OG-OE1 2.79Å; H191-E200 IonicContact CE1-OE2 2.81Å; H191-E200 PolarHBondContact CE1-OE2 3.29Å; H191-E200 VanDerWaalsContact CE1-OE2 3.26Å; H191-E200 IonicContact NE2-OE2 2.72Å; E200-A222 WeakPolarHBondContact O-CA 3.25Å; E200-C223 PolarHBondContact N-O 2.74Å; E200-C223 PolarHBondContact O-N 3.04Å; E200-M225 HydrophobicContact CB-CG 3.77Å; E200-M225 HydrophobicContact CB-SD 3.91Å |
| 201 | V | 96.4 | Very high | 90.2 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 133.1 | -179 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | S189 Y190 T192 V199 I220 A221 A222 | S189-V201 CarbonylContact C-O 3.5Å; S189-V201 VanDerWaalsContact CA-O 3.31Å; S189-V201 WeakPolarHBondContact CA-O 3.5Å; S189-V201 WeakPolarHBondContact CB-O 3.49Å; Y190-V201 HydrophobicContact CD1-CB 4.47Å; Y190-V201 HydrophobicContact CD2-CB 4.44Å; Y190-V201 HydrophobicContact CE1-CB 3.94Å; Y190-V201 HydrophobicContact CE1-CG1 3.97Å; Y190-V201 HydrophobicContact CE2-CB 3.9Å; Y190-V201 HydrophobicContact CE2-CG1 4.46Å; Y190-V201 HydrophobicContact CE2-CG2 4.21Å; Y190-V201 PolarHBondContact N-O 3.26Å; Y190-V201 PolarHBondContact O-N 3.16Å; Y190-V201 WeakPolarHBondContact OH-CG1 3.18Å; T192-V201 HydrophobicContact CG2-CG2 4.07Å; V199-V201 HydrophobicContact CG1-CG2 3.76Å; V201-I220 HydrophobicContact CG1-CD1 4.15Å; V201-I220 HydrophobicContact CG1-CG1 4.14Å; V201-A221 WeakPolarHBondContact CA-O 3.46Å; V201-A222 HydrophobicContact CG1-CB 4.45Å; V201-A222 HydrophobicContact CG2-CB 3.96Å |
| 202 | V | 95.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.9 | 165.8 | 60.1 | 0 | 0 | 0 | 0 | 108.4 | M113 F149 F180 T182 I220 A221 | M113-V202 HydrophobicContact CE-CB 4.2Å; M113-V202 HydrophobicContact CE-CG1 3.74Å; M113-V202 HydrophobicContact SD-CG1 4.1Å; F149-V202 HydrophobicContact CD1-CG2 4.16Å; F149-V202 HydrophobicContact CE1-CG2 4.15Å; F180-V202 HydrophobicContact CE1-CB 4.47Å; F180-V202 HydrophobicContact CE1-CG1 3.87Å; F180-V202 HydrophobicContact CE1-CG2 3.8Å; F180-V202 HydrophobicContact CZ-CG1 4.44Å; F180-V202 HydrophobicContact CZ-CG2 3.79Å; T182-V202 HydrophobicContact CG2-CB 4.34Å; T182-V202 HydrophobicContact CG2-CG1 3.75Å; T182-V202 HydrophobicContact CG2-CG2 4.25Å; V202-I220 WeakPolarHBondContact O-CA 3.31Å; V202-A221 HydrophobicContact CG1-CB 3.8Å; V202-A221 PolarHBondContact N-O 2.84Å; V202-A221 PolarHBondContact O-N 2.83Å |
| 203 | H | 94.9 | Very high | 88.2 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 93.9 | -176.7 | -174.7 | 173.8 | 0 | 0 | 0 | 109 | F149 Q150 D218 I220 | F149-H203 WeakPolarHBondContact CA-O 3.48Å; Q150-H203 HydrophobicContact CB-CB 4.04Å; Q150-H203 PolarHBondContact N-O 3.11Å; Q150-H203 PolarHBondContact NE2-CE1 2.64Å; Q150-H203 PolarHBondContact NE2-NE2 3.14Å; Q150-H203 PolarHBondContact OE1-CE1 3.01Å; Q150-H203 PolarHBondContact OE1-ND1 3.27Å; Q150-H203 VanDerWaalsContact OE1-ND1 3.15Å; H203-D218 IonicContact CD2-OD1 3.46Å; H203-D218 PolarHBondContact CD2-OD1 2.9Å; H203-D218 IonicContact NE2-OD1 2.77Å; H203-D218 PolarHBondContact NE2-OD1 3.41Å; H203-I220 HydrophobicContact CB-CB 4.47Å; H203-I220 HydrophobicContact CB-CD1 4.31Å; H203-I220 HydrophobicContact CB-CG1 4.17Å |
| 204 | A | 94.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V147 F149 F171 F180 L219 | V147-A204 HydrophobicContact CG2-CB 3.97Å; F149-A204 HydrophobicContact CD1-CB 4.03Å; F149-A204 HydrophobicContact CE1-CB 3.78Å; F171-A204 HydrophobicContact CE1-CB 4.33Å; F171-A204 HydrophobicContact CZ-CB 4.29Å; F180-A204 HydrophobicContact CD1-CB 3.98Å; F180-A204 HydrophobicContact CE1-CB 3.76Å; F180-A204 HydrophobicContact CE2-CB 4.47Å; F180-A204 HydrophobicContact CG-CB 4.44Å; F180-A204 HydrophobicContact CZ-CB 4.03Å; A204-L219 HydrophobicContact CB-CB 4.28Å; A204-L219 PolarHBondContact N-O 3.31Å; A204-L219 VanDerWaalsContact N-O 3.14Å; A204-L219 CarbonylContact O-C 3.56Å; A204-L219 WeakPolarHBondContact O-CA 3.27Å; A204-L219 WeakPolarHBondContact O-CB 3.45Å; A204-L219 PolarHBondContact O-N 2.85Å |
| 205 | T | 92 | Very high | 87 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 10% | 0.104 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 112.6 | 168.5 | -51.1 | 0 | 0 | 0 | 0 | 108.4 | V147 T148 Q150 M216 V217 | V147-T205 WeakPolarHBondContact CA-O 3.37Å; T148-T205 PolarHBondContact N-O 2.82Å; T148-T205 PolarHBondContact O-N 2.82Å; Q150-T205 PolarHBondContact NE2-OG1 3.03Å; T205-M216 HydrophobicContact CG2-CB 4.24Å; T205-V217 WeakPolarHBondContact CA-O 3.48Å |
| 206 | V | 90.8 | Very high | 86.8 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.1 | 175.9 | 173.5 | 0 | 0 | 0 | 0 | 108.3 | W145 Q146 V147 F171 M216 V217 L219 | W145-V206 HydrophobicContact CD2-CG1 4.36Å; W145-V206 HydrophobicContact CE3-CG1 3.42Å; W145-V206 VanDerWaalsContact CE3-CG1 3.42Å; W145-V206 HydrophobicContact CZ3-CG1 3.88Å; Q146-V206 CarbonylContact O-C 3.21Å; Q146-V206 WeakPolarHBondContact O-CA 3.44Å; V147-V206 HydrophobicContact CB-CG2 4.2Å; V147-V206 HydrophobicContact CG2-CG2 4.12Å; F171-V206 HydrophobicContact CD1-CG2 3.55Å; F171-V206 HydrophobicContact CE1-CG2 3.35Å; F171-V206 HydrophobicContact CG-CG2 4.47Å; F171-V206 HydrophobicContact CZ-CG2 4.16Å; V206-M216 CarbonylContact O-C 3.58Å; V206-M216 WeakPolarHBondContact O-CA 3.34Å; V206-V217 PolarHBondContact N-O 3.44Å; V206-V217 PolarHBondContact O-N 2.85Å; V206-L219 HydrophobicContact CB-CD1 4.22Å; V206-L219 HydrophobicContact CG2-CD1 3.65Å |
| 207 | F | 87.4 | Confident | 86.8 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 20% | 0.197 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 149.4 | -177.9 | 67.6 | -85.4 | 0 | 0 | 0 | 112.8 | Q146 T148 P158 V214 V215 M216 | Q146-F207 HydrophobicContact CB-CD1 4.34Å; Q146-F207 HydrophobicContact CB-CD2 4.41Å; Q146-F207 HydrophobicContact CB-CE1 3.77Å; Q146-F207 HydrophobicContact CB-CE2 3.85Å; Q146-F207 HydrophobicContact CB-CZ 3.5Å; Q146-F207 VanDerWaalsContact CB-CZ 3.5Å; Q146-F207 HydrophobicContact CG-CE2 4.45Å; Q146-F207 HydrophobicContact CG-CZ 4.36Å; Q146-F207 PolarHBondContact N-O 2.75Å; Q146-F207 PolarHBondContact O-N 2.82Å; Q146-F207 VanDerWaalsContact OE1-CE2 3.25Å; T148-F207 HydrophobicContact CG2-CE1 4.29Å; P158-F207 HydrophobicContact CB-CE1 4.37Å; P158-F207 HydrophobicContact CB-CZ 4.21Å; F207-V214 HydrophobicContact CB-CG1 4.49Å; F207-V215 CarbonylContact C-O 3.51Å; F207-V215 WeakPolarHBondContact CA-O 2.96Å; F207-V215 WeakPolarHBondContact CB-O 3.16Å; F207-M216 HydrophobicContact CB-CB 4.41Å; F207-M216 HydrophobicContact CB-CG 3.78Å |
| 208 | S | 82.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 137.4 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 110 | W145 V215 | W145-S208 VanDerWaalsContact CD2-CB 3.46Å; S208-V215 PolarHBondContact N-O 2.84Å; S208-V215 PolarHBondContact O-N 3.01Å |
| 209 | R | 79.9 | Confident | 86.6 | Confident | 186 Ų | 186 | 50.1 Ų | 50.1 | 70% | 0.702 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 106.6 | 177 | -177.2 | 178.3 | 175.1 | 177.4 | 0.3 | 109.6 | S211 V214 | R209-S211 PolarHBondContact NE-O 3.23Å; R209-V214 HydrophobicContact CG-CG2 4.34Å |
| 210 | Q | 74.6 | Confident | 86.4 | Confident | 64 Ų | 64 | 51.8 Ų | 51.8 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 87.7 | 173.9 | -64.5 | -175.3 | -1.8 | 0 | 0 | 109.6 | W212 V213 V215 | Q210-W212 PolarHBondContact O-N 2.88Å; Q210-V213 CarbonylContact C-O 3.42Å; Q210-V213 WeakPolarHBondContact CA-O 3.28Å; Q210-V213 PolarHBondContact N-O 3.37Å; Q210-V213 PolarHBondContact O-N 3.26Å; Q210-V213 VanDerWaalsContact O-O 3.14Å; Q210-V215 HydrophobicContact CG-CG2 4.47Å |
| 211 | S | 72.3 | Confident | 86.4 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 67% | 0.671 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | -98.2 | -177 | -175.6 | 0 | 0 | 0 | 0 | 113.4 | R209 | R209-S211 PolarHBondContact NE-O 3.23Š|
| 212 | W | 72.4 | Confident | 86.3 | Confident | 226 Ų | 226 | 51.5 Ų | 51.5 | 86% | 0.856 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -11.7 | -179.3 | 65 | -88.4 | 0 | 0 | 0 | 113.4 | Q210 | Q210-W212 PolarHBondContact O-N 2.88Š|
| 213 | V | 73.3 | Confident | 86.4 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 33% | 0.333 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 139.4 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | Q210 V215 | Q210-V213 CarbonylContact C-O 3.42Å; Q210-V213 WeakPolarHBondContact CA-O 3.28Å; Q210-V213 PolarHBondContact N-O 3.37Å; Q210-V213 PolarHBondContact O-N 3.26Å; Q210-V213 VanDerWaalsContact O-O 3.14Å; V213-V215 HydrophobicContact CG1-CG2 4.46Å |
| 214 | V | 78.3 | Confident | 86.4 | Confident | 76 Ų | 76 | 50.1 Ų | 50.1 | 46% | 0.461 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.5 | 166.4 | -176.8 | 0 | 0 | 0 | 0 | 106.9 | F207 R209 M216 | F207-V214 HydrophobicContact CB-CG1 4.49Å; R209-V214 HydrophobicContact CG-CG2 4.34Å; V214-M216 HydrophobicContact CG1-CG 3.88Å; V214-M216 HydrophobicContact CG1-SD 4.48Å |
| 215 | V | 81.3 | Confident | 86.4 | Confident | 28 Ų | 28 | 53 Ų | 53 | 17% | 0.17 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.9 | 170.8 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | L121 W145 F207 S208 Q210 V213 V217 | L121-V215 HydrophobicContact CD2-CB 4.42Å; L121-V215 HydrophobicContact CD2-CG1 3.67Å; L121-V215 HydrophobicContact CD2-CG2 4.17Å; W145-V215 HydrophobicContact CH2-CG1 4.34Å; F207-V215 CarbonylContact C-O 3.51Å; F207-V215 WeakPolarHBondContact CA-O 2.96Å; F207-V215 WeakPolarHBondContact CB-O 3.16Å; S208-V215 PolarHBondContact N-O 2.84Å; S208-V215 PolarHBondContact O-N 3.01Å; Q210-V215 HydrophobicContact CG-CG2 4.47Å; V213-V215 HydrophobicContact CG1-CG2 4.46Å; V215-V217 HydrophobicContact CG1-CG2 4.31Å |
| 216 | M | 85.5 | Confident | 86.5 | Confident | 134 Ų | 134 | 54.2 Ų | 54.2 | 66% | 0.66 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130 | 175.3 | -60.9 | -174.8 | -70 | 0 | 0 | 108.3 | T205 V206 F207 V214 | T205-M216 HydrophobicContact CG2-CB 4.24Å; V206-M216 CarbonylContact O-C 3.58Å; V206-M216 WeakPolarHBondContact O-CA 3.34Å; F207-M216 HydrophobicContact CB-CB 4.41Å; F207-M216 HydrophobicContact CB-CG 3.78Å; V214-M216 HydrophobicContact CG1-CG 3.88Å; V214-M216 HydrophobicContact CG1-SD 4.48Å |
| 217 | V | 88.9 | Confident | 86.6 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121 | 179 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | V117 I178 T205 V206 V215 L219 | V117-V217 HydrophobicContact CG2-CG1 3.55Å; I178-V217 HydrophobicContact CD1-CB 4.16Å; I178-V217 HydrophobicContact CD1-CG1 3.93Å; I178-V217 HydrophobicContact CD1-CG2 3.57Å; T205-V217 WeakPolarHBondContact CA-O 3.48Å; V206-V217 PolarHBondContact N-O 3.44Å; V206-V217 PolarHBondContact O-N 2.85Å; V215-V217 HydrophobicContact CG1-CG2 4.31Å; V217-L219 HydrophobicContact CG1-CD2 3.94Å; V217-L219 HydrophobicContact CG1-CG 4.11Å |
| 218 | D | 89.8 | Confident | 86.8 | Confident | 54 Ų | 54 | 61 Ų | 61 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 120.6 | 177.2 | 172.3 | 39.6 | 0 | 0 | 0 | 110.9 | R104 H203 | R104-D218 IonicContact CZ-OD2 2.63Å; R104-D218 IonicContact NH1-OD2 3.65Å; R104-D218 PolarHBondContact NH2-O 3.47Å; R104-D218 IonicContact NH2-OD2 3.54Å; R104-D218 PolarHBondContact NH2-OD2 3.24Å; H203-D218 IonicContact CD2-OD1 3.46Å; H203-D218 PolarHBondContact CD2-OD1 2.9Å; H203-D218 IonicContact NE2-OD1 2.77Å; H203-D218 PolarHBondContact NE2-OD1 3.41Å |
| 219 | L | 93.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 70 | -175.6 | -59.5 | 171 | 0 | 0 | 0 | 108.9 | V115 V117 F171 I178 F180 A204 V206 V217 | V115-L219 HydrophobicContact CG1-CB 3.83Å; V115-L219 HydrophobicContact CG1-CD2 4.25Å; V117-L219 HydrophobicContact CB-CD2 4.36Å; V117-L219 HydrophobicContact CG1-CD2 4Å; V117-L219 HydrophobicContact CG2-CD2 3.45Å; V117-L219 VanDerWaalsContact CG2-CD2 3.45Å; F171-L219 HydrophobicContact CD1-CD1 4.06Å; F171-L219 HydrophobicContact CE1-CD1 3.94Å; I178-L219 HydrophobicContact CG2-CD1 3.82Å; I178-L219 HydrophobicContact CG2-CD2 4.1Å; F180-L219 HydrophobicContact CB-CB 3.98Å; F180-L219 HydrophobicContact CB-CD1 3.73Å; F180-L219 HydrophobicContact CB-CG 4.28Å; F180-L219 HydrophobicContact CD1-CB 4.05Å; F180-L219 HydrophobicContact CG-CB 4.33Å; A204-L219 HydrophobicContact CB-CB 4.28Å; A204-L219 PolarHBondContact N-O 3.31Å; A204-L219 VanDerWaalsContact N-O 3.14Å; A204-L219 CarbonylContact O-C 3.56Å; A204-L219 WeakPolarHBondContact O-CA 3.27Å; A204-L219 WeakPolarHBondContact O-CB 3.45Å; A204-L219 PolarHBondContact O-N 2.85Å; V206-L219 HydrophobicContact CB-CD1 4.22Å; V206-L219 HydrophobicContact CG2-CD1 3.65Å; V217-L219 HydrophobicContact CG1-CD2 3.94Å; V217-L219 HydrophobicContact CG1-CG 4.11Å |
| 220 | I | 94.1 | Very high | 88 | Confident | 36 Ų | 36 | 58.5 Ų | 58.5 | 19% | 0.185 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 124.9 | 176.3 | -174.7 | 171.4 | 0 | 0 | 0 | 111.9 | V201 V202 H203 Y244 | V201-I220 HydrophobicContact CG1-CD1 4.15Å; V201-I220 HydrophobicContact CG1-CG1 4.14Å; V202-I220 WeakPolarHBondContact O-CA 3.31Å; H203-I220 HydrophobicContact CB-CB 4.47Å; H203-I220 HydrophobicContact CB-CD1 4.31Å; H203-I220 HydrophobicContact CB-CG1 4.17Å; I220-Y244 HydrophobicContact CG2-CE1 4.15Å; I220-Y244 PolarHBondContact O-OH 2.72Å; I220-Y244 VanDerWaalsContact O-OH 3.12Å |
| 221 | A | 95.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V106 M113 V115 V201 V202 Y244 | V106-A221 HydrophobicContact CG1-CB 4.09Å; M113-A221 HydrophobicContact CB-CB 4.03Å; M113-A221 HydrophobicContact SD-CB 4.43Å; V115-A221 HydrophobicContact CB-CB 4.46Å; V201-A221 WeakPolarHBondContact CA-O 3.46Å; V202-A221 HydrophobicContact CG1-CB 3.8Å; V202-A221 PolarHBondContact N-O 2.84Å; V202-A221 PolarHBondContact O-N 2.83Å; A221-Y244 VanDerWaalsContact CA-OH 3.32Å; A221-Y244 WeakPolarHBondContact CA-OH 3.43Å |
| 222 | A | 95.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 60 Ų | 60 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.2 | 177 | 0 | 0 | 0 | 0 | 0 | 109 | V199 E200 V201 L243 Y244 | V199-A222 HydrophobicContact CG1-CB 4.11Å; E200-A222 WeakPolarHBondContact O-CA 3.25Å; V201-A222 HydrophobicContact CG1-CB 4.45Å; V201-A222 HydrophobicContact CG2-CB 3.96Å; A222-L243 HydrophobicContact CB-CD2 4.28Å; A222-Y244 PolarHBondContact N-OH 2.93Å |
| 223 | C | 96.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129 | -172.7 | -66 | 0 | 0 | 0 | 0 | 111.3 | C108 M113 Y184 V199 E200 M225 F327 | C108-C223 VanDerWaalsContact CA-SG 3.59Å; C108-C223 HydrophobicContact CB-CB 3.75Å; C108-C223 WeakPolarHBondContact CB-SG 3.44Å; C108-C223 WeakPolarHBondContact SG-CA 3.37Å; C108-C223 WeakPolarHBondContact SG-CB 3.39Å; C108-C223 CovalentContact SG-SG 2.02Å; C108-C223 PolarHBondContact SG-SG 3.07Å; M113-C223 HydrophobicContact CG-CB 4.46Å; M113-C223 VanDerWaalsContact CG-SG 3.6Å; M113-C223 HydrophobicContact SD-CB 4.22Å; Y184-C223 HydrophobicContact CE1-CB 3.88Å; Y184-C223 PolarHBondContact OH-SG 2.83Å; Y184-C223 VanDerWaalsContact OH-SG 3.41Å; V199-C223 WeakPolarHBondContact CA-O 3.34Å; V199-C223 WeakPolarHBondContact CG1-O 3.48Å; E200-C223 PolarHBondContact N-O 2.74Å; E200-C223 PolarHBondContact O-N 3.04Å; C223-M225 PolarHBondContact O-N 3.34Å; C223-F327 HydrophobicContact CB-CE1 4.34Å |
| 224 | S | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 131.2 | 167.9 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | V197 D226 G238 R329 | V197-S224 WeakPolarHBondContact CG1-OG 3.19Å; S224-D226 PolarHBondContact OG-N 3.48Å; S224-G238 PolarHBondContact OG-O 2.9Å; S224-R329 PolarHBondContact O-NE 3.47Å; S224-R329 PolarHBondContact O-NH2 2.86Å |
| 225 | M | 94.9 | Very high | 92.3 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 30% | 0.296 | 26% | 0.258 | S | S | . | . | trans | -107 | 16.9 | 175.8 | -57.8 | -56 | -73.1 | 0 | 0 | 111.1 | Y184 P198 E200 C223 E227 | Y184-M225 HydrophobicContact CD1-CE 4.05Å; Y184-M225 HydrophobicContact CD1-SD 3.95Å; Y184-M225 HydrophobicContact CE1-CE 4.4Å; Y184-M225 HydrophobicContact CE1-SD 3.77Å; Y184-M225 HydrophobicContact CG-CE 4.5Å; P198-M225 HydrophobicContact CB-CB 4.33Å; P198-M225 HydrophobicContact CG-CB 4.42Å; P198-M225 PolarHBondContact O-N 3.25Å; E200-M225 HydrophobicContact CB-CG 3.77Å; E200-M225 HydrophobicContact CB-SD 3.91Å; C223-M225 PolarHBondContact O-N 3.34Å; M225-E227 PolarHBondContact O-N 3.26Å | ||
| 226 | D | 94.1 | Very high | 93 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | trans | -62 | 123.6 | 172.9 | -173.9 | 18.1 | 0 | 0 | 0 | 110 | V197 S224 G228 W237 G238 | V197-D226 HydrophobicContact CG1-CB 4.21Å; S224-D226 PolarHBondContact OG-N 3.48Å; D226-G228 PolarHBondContact OD1-N 2.87Å; D226-W237 VanDerWaalsContact O-CD1 3.23Å; D226-W237 PolarHBondContact O-NE1 2.99Å; D226-G238 WeakPolarHBondContact CB-O 3.43Å; D226-G238 WeakPolarHBondContact OD2-CA 3.2Å; D226-G238 PolarHBondContact OD2-N 2.97Å | ||
| 227 | E | 91.3 | Very high | 93.4 | Very high | 172 Ų | 172 | 41.4 Ų | 41.4 | 80% | 0.804 | 23% | 0.228 | S | C | * | . | trans | -80.3 | -12.4 | 176 | -61.8 | -175.3 | 167.2 | 0 | 0 | 111.4 | M225 | M225-E227 PolarHBondContact O-N 3.26Š| ||
| 228 | G | 92.4 | Very high | 93.6 | Very high | 21 Ų | 21 | 40.5 Ų | 40.5 | 22% | 0.216 | 22% | 0.223 | C | C | . | . | trans | 78.4 | 167.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D226 M235 I236 | D226-G228 PolarHBondContact OD1-N 2.87Å; G228-M235 VanDerWaalsContact C-CE 3.46Å; G228-I236 CarbonylContact C-O 3.58Å; G228-I236 WeakPolarHBondContact CA-O 3.46Å | ||
| 229 | S | 93.8 | Very high | 93.9 | Very high | 65 Ų | 65 | 37.9 Ų | 37.9 | 46% | 0.455 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 151.5 | -178 | 58.5 | 0 | 0 | 0 | 0 | 110.5 | I236 | S229-I236 PolarHBondContact N-O 2.85Å; S229-I236 WeakPolarHBondContact O-CA 3.38Å; S229-I236 PolarHBondContact O-N 2.83Å |
| 230 | Y | 93.6 | Very high | 93.8 | Very high | 71 Ų | 71 | 38 Ų | 38 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.2 | 176.6 | -176.9 | -95.8 | 0 | 0 | 0 | 110.2 | G233 Y234 T333 L336 | Y230-G233 WeakPolarHBondContact OH-CA 3.31Å; Y230-Y234 WeakPolarHBondContact CA-O 3.36Å; Y230-Y234 WeakPolarHBondContact CD2-O 3.43Å; Y230-T333 HydrophobicContact CD2-CG2 3.75Å; Y230-T333 HydrophobicContact CE2-CG2 4.14Å; Y230-L336 HydrophobicContact CD1-CD2 3.96Å; Y230-L336 HydrophobicContact CE1-CD1 4.26Å; Y230-L336 HydrophobicContact CE1-CD2 3.5Å; Y230-L336 VanDerWaalsContact CE1-CD2 3.5Å; Y230-L336 HydrophobicContact CE2-CD1 4Å; Y230-L336 HydrophobicContact CE2-CD2 4.49Å; Y230-L336 WeakPolarHBondContact OH-CD1 3.28Å |
| 231 | D | 92.4 | Very high | 93.5 | Very high | 90 Ų | 90 | 37.6 Ų | 37.6 | 48% | 0.481 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 134.9 | 176.4 | -179.2 | 25.5 | 0 | 0 | 0 | 110.8 | G233 Y234 I236 | D231-G233 PolarHBondContact O-N 2.86Å; D231-Y234 PolarHBondContact N-O 2.97Å; D231-Y234 PolarHBondContact O-N 3.29Å; D231-I236 HydrophobicContact CB-CD1 3.76Å |
| 232 | S | 88.8 | Confident | 93 | Very high | 102 Ų | 102 | 40.5 Ų | 40.5 | 71% | 0.713 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 35.1 | 167 | -61.1 | 0 | 0 | 0 | 0 | 115.8 | Y234 | S232-Y234 WeakPolarHBondContact O-CD2 3.22Š|
| 233 | G | 90.6 | Very high | 92.5 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 17% | 0.165 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | 3.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | Y230 D231 Y286 | Y230-G233 WeakPolarHBondContact OH-CA 3.31Å; D231-G233 PolarHBondContact O-N 2.86Å; G233-Y286 WeakPolarHBondContact O-CD1 3.1Å; G233-Y286 PolarHBondContact O-N 2.79Å |
| 234 | Y | 94.3 | Very high | 92.1 | Very high | 71 Ų | 71 | 42.1 Ų | 42.1 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.2 | -177.8 | -65.4 | -93.7 | 0 | 0 | 0 | 111.3 | Y230 D231 S232 G270 I272 I284 P285 | Y230-Y234 WeakPolarHBondContact CA-O 3.36Å; Y230-Y234 WeakPolarHBondContact CD2-O 3.43Å; D231-Y234 PolarHBondContact N-O 2.97Å; D231-Y234 PolarHBondContact O-N 3.29Å; S232-Y234 WeakPolarHBondContact O-CD2 3.22Å; Y234-G270 WeakPolarHBondContact CE1-O 3.44Å; Y234-I272 HydrophobicContact CD1-CD1 3.85Å; Y234-I272 HydrophobicContact CD1-CG1 4.23Å; Y234-I272 HydrophobicContact CD2-CD1 4.14Å; Y234-I272 HydrophobicContact CE1-CD1 3.61Å; Y234-I272 HydrophobicContact CE1-CG1 3.85Å; Y234-I272 HydrophobicContact CE2-CD1 3.94Å; Y234-I272 HydrophobicContact CG-CD1 4.11Å; Y234-I284 CarbonylContact C-O 3.52Å; Y234-I284 VanDerWaalsContact CA-O 3.3Å; Y234-I284 WeakPolarHBondContact CA-O 3.43Å; Y234-P285 HydrophobicContact CD1-CB 4.02Å; Y234-P285 HydrophobicContact CE1-CB 3.71Å; Y234-P285 HydrophobicContact CE1-CG 4.28Å |
| 235 | M | 95.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 111.8 | 160.3 | -170.8 | 65.6 | -161.7 | 0 | 0 | 108.1 | G228 I284 F307 L331 T333 | G228-M235 VanDerWaalsContact C-CE 3.46Å; M235-I284 HydrophobicContact CB-CB 4.39Å; M235-I284 PolarHBondContact N-O 3.15Å; M235-I284 PolarHBondContact O-N 3Å; M235-F307 HydrophobicContact CB-CD2 4.03Å; M235-F307 HydrophobicContact CB-CE2 3.96Å; M235-F307 HydrophobicContact CG-CD2 4.22Å; M235-L331 HydrophobicContact CE-CB 4.05Å; M235-L331 HydrophobicContact CE-CD2 4.44Å; M235-L331 HydrophobicContact CG-CB 3.92Å; M235-L331 HydrophobicContact CG-CD1 4.25Å; M235-T333 HydrophobicContact CB-CG2 4.36Å; M235-T333 HydrophobicContact SD-CG2 4.15Å |
| 236 | I | 94.8 | Very high | 91 | Very high | 37 Ų | 37 | 45.7 Ų | 45.7 | 19% | 0.19 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.5 | -176.9 | -56.1 | -179.3 | 0 | 0 | 0 | 109.1 | G228 S229 D231 I282 | G228-I236 CarbonylContact C-O 3.58Å; G228-I236 WeakPolarHBondContact CA-O 3.46Å; S229-I236 PolarHBondContact N-O 2.85Å; S229-I236 WeakPolarHBondContact O-CA 3.38Å; S229-I236 PolarHBondContact O-N 2.83Å; D231-I236 HydrophobicContact CB-CD1 3.76Å; I236-I282 CarbonylContact C-O 3.57Å; I236-I282 VanDerWaalsContact CA-O 3.29Å; I236-I282 WeakPolarHBondContact CA-O 3.19Å |
| 237 | W | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 143.7 | 173.2 | -179.5 | 82.4 | 0 | 0 | 0 | 110.8 | D226 T239 I282 L309 L311 F327 R329 L331 | D226-W237 VanDerWaalsContact O-CD1 3.23Å; D226-W237 PolarHBondContact O-NE1 2.99Å; W237-T239 HydrophobicContact CH2-CG2 3.93Å; W237-T239 HydrophobicContact CZ3-CG2 3.67Å; W237-I282 HydrophobicContact CE3-CD1 4.14Å; W237-I282 HydrophobicContact CZ3-CD1 4.27Å; W237-I282 PolarHBondContact N-O 2.79Å; W237-I282 PolarHBondContact O-N 3.42Å; W237-L309 HydrophobicContact CB-CD2 4.36Å; W237-L309 HydrophobicContact CD2-CD2 3.73Å; W237-L309 HydrophobicContact CE3-CD2 3.53Å; W237-L309 HydrophobicContact CG-CD2 4.11Å; W237-L309 HydrophobicContact CZ3-CD2 4.08Å; W237-L311 HydrophobicContact CZ3-CD1 4.1Å; W237-F327 HydrophobicContact CH2-CB 4.28Å; W237-F327 HydrophobicContact CH2-CD1 4.1Å; W237-F327 HydrophobicContact CH2-CD2 4.13Å; W237-F327 HydrophobicContact CH2-CE1 4.45Å; W237-F327 HydrophobicContact CH2-CE2 4.42Å; W237-F327 AromaticContact CH2-CG 3.92Å; W237-F327 HydrophobicContact CH2-CG 3.92Å; W237-F327 HydrophobicContact CZ2-CD1 4.24Å; W237-F327 HydrophobicContact CZ2-CG 4.45Å; W237-R329 HydrophobicContact CZ2-CG 3.95Å; W237-L331 HydrophobicContact CB-CD1 3.7Å; W237-L331 HydrophobicContact CB-CD2 4.35Å; W237-L331 HydrophobicContact CG-CD1 4.11Å; W237-L331 HydrophobicContact CG-CD2 4.15Å |
| 238 | G | 93.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S224 D226 V280 | S224-G238 PolarHBondContact OG-O 2.9Å; D226-G238 WeakPolarHBondContact CB-O 3.43Å; D226-G238 WeakPolarHBondContact OD2-CA 3.2Å; D226-G238 PolarHBondContact OD2-N 2.97Å; G238-V280 VanDerWaalsContact CA-O 3.32Å; G238-V280 WeakPolarHBondContact CA-O 3.48Å |
| 239 | T | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 145.2 | 168.5 | -175 | 0 | 0 | 0 | 0 | 110.9 | W237 V280 | W237-T239 HydrophobicContact CH2-CG2 3.93Å; W237-T239 HydrophobicContact CZ3-CG2 3.67Å; T239-V280 HydrophobicContact CG2-CB 4.2Å; T239-V280 PolarHBondContact N-O 2.83Å; T239-V280 PolarHBondContact O-N 3.13Å |
| 240 | P | 93.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 138.6 | 173.1 | -19.5 | 31.7 | 0 | 0 | 0 | 111.8 | V194 V197 V199 A242 L243 Q313 | V194-P240 HydrophobicContact CB-CB 4.25Å; V194-P240 HydrophobicContact CB-CG 3.8Å; V194-P240 HydrophobicContact CG1-CB 3.79Å; V194-P240 HydrophobicContact CG1-CG 3.93Å; V197-P240 HydrophobicContact CB-CG 4Å; V197-P240 HydrophobicContact CG1-CG 4.44Å; V197-P240 HydrophobicContact CG2-CG 4.44Å; V199-P240 HydrophobicContact CG2-CG 3.87Å; P240-A242 VanDerWaalsContact C-N 3.27Å; P240-A242 PolarHBondContact O-N 2.98Å; P240-L243 HydrophobicContact CB-CD2 4.02Å; P240-L243 HydrophobicContact CB-CG 4Å; P240-L243 HydrophobicContact CG-CD2 3.78Å; P240-L243 HydrophobicContact CG-CG 4.15Å; P240-Q313 PolarHBondContact O-NE2 3.23Å; P240-Q313 VanDerWaalsContact O-NE2 3.12Å |
| 241 | E | 88.1 | Confident | 88.3 | Confident | 28 Ų | 28 | 47.1 Ų | 47.1 | 13% | 0.131 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -29.4 | 180 | -173.1 | 168.7 | -158.6 | 0 | 0 | 112.3 | T249 T250 R275 S278 V280 Q313 | E241-T249 VanDerWaalsContact OE1-CG2 3.28Å; E241-T249 WeakPolarHBondContact OE1-CG2 3.34Å; E241-T250 WeakPolarHBondContact O-CB 3.21Å; E241-T250 PolarHBondContact O-OG1 3.11Å; E241-R275 VanDerWaalsContact OE1-CD 3.28Å; E241-R275 WeakPolarHBondContact OE1-CD 3.35Å; E241-R275 IonicContact OE1-CZ 2.95Å; E241-R275 IonicContact OE1-NE 3.81Å; E241-R275 PolarHBondContact OE1-NE 2.8Å; E241-S278 VanDerWaalsContact CB-O 3.29Å; E241-S278 WeakPolarHBondContact CB-O 3.32Å; E241-S278 PolarHBondContact N-O 3.15Å; E241-V280 HydrophobicContact CB-CG2 3.91Å; E241-V280 HydrophobicContact CG-CG2 4.16Å; E241-Q313 PolarHBondContact O-NE2 3.12Å |
| 242 | A | 83.9 | Confident | 88.1 | Confident | 63 Ų | 63 | 43.6 Ų | 43.6 | 52% | 0.521 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 63.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P240 Y244 | P240-A242 VanDerWaalsContact C-N 3.27Å; P240-A242 PolarHBondContact O-N 2.98Å; A242-Y244 VanDerWaalsContact C-N 3.25Å |
| 243 | L | 85.8 | Confident | 88.2 | Confident | 28 Ų | 28 | 40.1 Ų | 40.1 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -69 | -27.5 | 168.6 | -76 | 171.6 | 0 | 0 | 0 | 112.5 | V199 A222 P240 L325 F327 | V199-L243 HydrophobicContact CG1-CD2 3.86Å; V199-L243 HydrophobicContact CG2-CD2 3.86Å; A222-L243 HydrophobicContact CB-CD2 4.28Å; P240-L243 HydrophobicContact CB-CD2 4.02Å; P240-L243 HydrophobicContact CB-CG 4Å; P240-L243 HydrophobicContact CG-CD2 3.78Å; P240-L243 HydrophobicContact CG-CG 4.15Å; L243-L325 HydrophobicContact CB-CD2 4.38Å; L243-L325 HydrophobicContact CD1-CD2 3.56Å; L243-F327 HydrophobicContact CD1-CZ 3.86Å |
| 244 | Y | 87.4 | Confident | 88.1 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 4% | 0.043 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -123 | 154.7 | 179.4 | -67.9 | -87.9 | 0 | 0 | 0 | 109.9 | V106 I220 A221 A222 A242 S246 T323 L325 | V106-Y244 WeakPolarHBondContact CG1-OH 3.49Å; V106-Y244 HydrophobicContact CG2-CE1 4.1Å; V106-Y244 HydrophobicContact CG2-CE2 4.35Å; V106-Y244 VanDerWaalsContact CG2-OH 3.27Å; V106-Y244 WeakPolarHBondContact CG2-OH 3.38Å; I220-Y244 HydrophobicContact CG2-CE1 4.15Å; I220-Y244 PolarHBondContact O-OH 2.72Å; I220-Y244 VanDerWaalsContact O-OH 3.12Å; A221-Y244 VanDerWaalsContact CA-OH 3.32Å; A221-Y244 WeakPolarHBondContact CA-OH 3.43Å; A222-Y244 PolarHBondContact N-OH 2.93Å; A242-Y244 VanDerWaalsContact C-N 3.25Å; Y244-S246 PolarHBondContact O-N 3.45Å; Y244-T323 HydrophobicContact CD1-CG2 3.93Å; Y244-T323 HydrophobicContact CD2-CG2 4.2Å; Y244-T323 HydrophobicContact CE1-CG2 4.45Å; Y244-T323 HydrophobicContact CG-CG2 3.79Å; Y244-L325 HydrophobicContact CD2-CD2 4.26Å; Y244-L325 HydrophobicContact CE2-CD1 4.12Å; Y244-L325 HydrophobicContact CE2-CD2 3.96Å; Y244-L325 HydrophobicContact CE2-CG 4.46Å |
| 245 | P | 83.4 | Confident | 87.9 | Confident | 94 Ų | 94 | 36.2 Ų | 36.2 | 61% | 0.61 | 22% | 0.224 | S | C | * | . | trans | -52.9 | 132.2 | 176.5 | -25.9 | 34.9 | 0 | 0 | 0 | 112 | D317 | P245-D317 HydrophobicContact CB-CB 4.37Š| ||
| 246 | S | 83.8 | Confident | 87.7 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | trans | -146 | 130.1 | -177.2 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | Y244 G248 V316 | Y244-S246 PolarHBondContact O-N 3.45Å; S246-G248 PolarHBondContact O-N 2.96Å; S246-G248 PolarHBondContact OG-O 3.16Å; S246-V316 CarbonylContact C-O 3.59Å; S246-V316 WeakPolarHBondContact CA-O 3.28Å | ||
| 247 | L | 78.8 | Confident | 87 | Confident | 101 Ų | 101 | 36.6 Ų | 36.6 | 53% | 0.529 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -86.2 | 85.5 | 163.7 | -84.8 | -177.3 | 0 | 0 | 0 | 108.9 | V316 E318 | L247-V316 PolarHBondContact N-O 3.45Å; L247-E318 VanDerWaalsContact CD1-CA 3.42Å; L247-E318 HydrophobicContact CD1-CB 4.26Å; L247-E318 HydrophobicContact CD1-CG 4.12Å; L247-E318 HydrophobicContact CD2-CG 3.93Å; L247-E318 HydrophobicContact CG-CB 4.43Å; L247-E318 HydrophobicContact CG-CG 3.84Å |
| 248 | G | 76 | Confident | 86.1 | Confident | 57 Ų | 57 | 37.1 Ų | 37.1 | 59% | 0.588 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 103.1 | -165.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S246 T250 | S246-G248 PolarHBondContact O-N 2.96Å; S246-G248 PolarHBondContact OG-O 3.16Å; G248-T250 PolarHBondContact O-N 2.92Å |
| 249 | T | 79.6 | Confident | 85.5 | Confident | 102 Ų | 102 | 41.4 Ų | 41.4 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 124.3 | -170.8 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | E241 Q251 | E241-T249 VanDerWaalsContact OE1-CG2 3.28Å; E241-T249 WeakPolarHBondContact OE1-CG2 3.34Å; T249-Q251 PolarHBondContact O-N 3.06Å |
| 250 | T | 86.3 | Confident | 85 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 132 | 177.6 | -46.4 | 0 | 0 | 0 | 0 | 110.5 | E241 G248 R275 Q313 T314 | E241-T250 WeakPolarHBondContact O-CB 3.21Å; E241-T250 PolarHBondContact O-OG1 3.11Å; G248-T250 PolarHBondContact O-N 2.92Å; T250-R275 PolarHBondContact O-NH2 3.48Å; T250-Q313 HydrophobicContact CG2-CB 4.48Å; T250-Q313 HydrophobicContact CG2-CG 3.2Å; T250-T314 WeakPolarHBondContact CG2-O 3.32Å |
| 251 | Q | 89 | Confident | 84.3 | Confident | 138 Ų | 138 | 46.1 Ų | 46.1 | 65% | 0.645 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 136.8 | 176.8 | -63.8 | -175.7 | -14.5 | 0 | 0 | 109.9 | T249 Q313 T314 | T249-Q251 PolarHBondContact O-N 3.06Å; Q251-Q313 CarbonylContact O-C 3.49Å; Q251-Q313 WeakPolarHBondContact O-CA 3.17Å; Q251-T314 PolarHBondContact N-O 3.45Å; Q251-T314 PolarHBondContact O-N 2.83Å |
| 252 | I | 88.8 | Confident | 83.7 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 129.9 | -174 | -55.3 | 178.7 | 0 | 0 | 0 | 109.2 | F254 M273 V280 L311 K312 | I252-F254 HydrophobicContact CG2-CD1 4.45Å; I252-M273 HydrophobicContact CB-CE 4.36Å; I252-V280 HydrophobicContact CD1-CB 3.94Å; I252-V280 HydrophobicContact CD1-CG1 3.58Å; I252-V280 HydrophobicContact CD1-CG2 3.25Å; I252-L311 HydrophobicContact CG2-CD1 3.88Å; I252-L311 HydrophobicContact CG2-CD2 4.42Å; I252-L311 HydrophobicContact CG2-CG 4.15Å; I252-K312 WeakPolarHBondContact CA-O 3.27Å |
| 253 | S | 89.4 | Confident | 83.4 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 20% | 0.203 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 137.7 | 169.3 | 57.9 | 0 | 0 | 0 | 0 | 108.3 | K312 | S253-K312 PolarHBondContact N-O 3.37Å; S253-K312 PolarHBondContact O-N 2.91Å; S253-K312 WeakPolarHBondContact OG-CB 3.39Å |
| 254 | F | 90.3 | Very high | 83 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 165.6 | -177.3 | 70.9 | -88.1 | 0 | 0 | 0 | 110.9 | I252 V261 V266 F271 M273 I282 L309 Y310 L311 | I252-F254 HydrophobicContact CG2-CD1 4.45Å; F254-V261 PolarHBondContact O-N 3.01Å; F254-V266 HydrophobicContact CE1-CG2 3.78Å; F254-V266 HydrophobicContact CE2-CB 4.41Å; F254-V266 HydrophobicContact CE2-CG2 4.34Å; F254-V266 HydrophobicContact CZ-CB 4.15Å; F254-V266 HydrophobicContact CZ-CG2 3.65Å; F254-F271 HydrophobicContact CE2-CB 4.14Å; F254-F271 AromaticContact CE2-CD1 3.63Å; F254-F271 HydrophobicContact CE2-CD1 3.63Å; F254-F271 HydrophobicContact CE2-CE1 4.32Å; F254-F271 HydrophobicContact CE2-CG 4.15Å; F254-F271 HydrophobicContact CZ-CB 4.04Å; F254-F271 HydrophobicContact CZ-CD1 4.37Å; F254-M273 HydrophobicContact CE1-CB 3.93Å; F254-M273 HydrophobicContact CE1-CG 4.18Å; F254-M273 HydrophobicContact CZ-CB 4.31Å; F254-I282 HydrophobicContact CD1-CD1 4.2Å; F254-I282 HydrophobicContact CD2-CG2 3.91Å; F254-I282 HydrophobicContact CE1-CG2 4.42Å; F254-I282 HydrophobicContact CE2-CG2 3.55Å; F254-I282 HydrophobicContact CG-CD1 4.19Å; F254-I282 HydrophobicContact CG-CG2 4.5Å; F254-I282 HydrophobicContact CZ-CG2 3.83Å; F254-L309 HydrophobicContact CB-CD1 4.33Å; F254-L309 HydrophobicContact CD2-CD1 4.14Å; F254-Y310 CarbonylContact C-O 3.49Å; F254-Y310 VanDerWaalsContact CA-O 3.24Å; F254-Y310 WeakPolarHBondContact CA-O 3.47Å; F254-L311 HydrophobicContact CB-CB 3.94Å; F254-L311 HydrophobicContact CB-CD1 3.9Å; F254-L311 HydrophobicContact CB-CG 3.97Å |
| 255 | G | 90.1 | Very high | 82.7 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.4 | -168.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N259 Y310 | G255-N259 WeakPolarHBondContact CA-O 3.39Å; G255-Y310 PolarHBondContact N-O 2.94Å; G255-Y310 PolarHBondContact O-N 3.02Å |
| 256 | L | 89.2 | Confident | 82.6 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.7 | -176.6 | -58.4 | -178.8 | 0 | 0 | 0 | 110.7 | G258 N259 F271 I284 A288 F307 N308 | L256-G258 VanDerWaalsContact C-N 3.27Å; L256-G258 PolarHBondContact O-N 2.59Å; L256-N259 PolarHBondContact O-N 3.31Å; L256-N259 VanDerWaalsContact O-N 3.16Å; L256-F271 HydrophobicContact CD1-CE1 4.2Å; L256-F271 HydrophobicContact CD1-CZ 3.91Å; L256-F271 HydrophobicContact CG-CE1 4.22Å; L256-F271 HydrophobicContact CG-CZ 4.18Å; L256-I284 HydrophobicContact CD1-CG2 4.2Å; L256-I284 HydrophobicContact CD2-CD1 4.1Å; L256-A288 HydrophobicContact CD1-CB 4.07Å; L256-F307 HydrophobicContact CD1-CD1 3.87Å; L256-F307 HydrophobicContact CD2-CB 4.06Å; L256-F307 HydrophobicContact CD2-CD1 4.46Å; L256-N308 WeakPolarHBondContact CA-O 3.41Å |
| 257 | N | 81.2 | Confident | 82.5 | Confident | 39 Ų | 39 | 53.3 Ų | 53.3 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 39.5 | 174.4 | -52.2 | -30.6 | 0 | 0 | 0 | 113.6 | N259 G290 Y292 N308 | N257-N259 VanDerWaalsContact C-N 3.3Å; N257-N259 PolarHBondContact O-N 2.82Å; N257-G290 PolarHBondContact ND2-O 2.82Å; N257-Y292 WeakPolarHBondContact OD1-CE2 3.5Å; N257-N308 PolarHBondContact N-O 2.87Å; N257-N308 WeakPolarHBondContact OD1-CB 3.31Å |
| 258 | G | 77 | Confident | 82.8 | Confident | 11 Ų | 11 | 56.6 Ų | 56.6 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 4.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R4 L256 | R4-G258 PolarHBondContact NH1-O 3.47Å; R4-G258 VanDerWaalsContact NH1-O 3.14Å; L256-G258 VanDerWaalsContact C-N 3.27Å; L256-G258 PolarHBondContact O-N 2.59Å |
| 259 | N | 80.8 | Confident | 83.2 | Confident | 93 Ų | 93 | 59.6 Ų | 59.6 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | trans | -95.6 | 94.1 | 176.7 | -64.9 | -26 | 0 | 0 | 0 | 110.2 | R4 G255 L256 N257 | R4-N259 PolarHBondContact NH1-OD1 3.25Å; G255-N259 WeakPolarHBondContact CA-O 3.39Å; L256-N259 PolarHBondContact O-N 3.31Å; L256-N259 VanDerWaalsContact O-N 3.16Å; N257-N259 VanDerWaalsContact C-N 3.3Å; N257-N259 PolarHBondContact O-N 2.82Å | ||
| 260 | L | 82.8 | Confident | 83.6 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | trans | -71.3 | 136.9 | 173.7 | -62.2 | 168.6 | 0 | 0 | 0 | 110.2 | Y310 K312 W326 | L260-Y310 HydrophobicContact CD1-CD1 4.2Å; L260-Y310 HydrophobicContact CD1-CE1 3.68Å; L260-Y310 HydrophobicContact CD2-CD1 3.41Å; L260-Y310 VanDerWaalsContact CD2-CD1 3.41Å; L260-Y310 HydrophobicContact CD2-CE1 3.77Å; L260-Y310 HydrophobicContact CD2-CG 4.14Å; L260-Y310 WeakPolarHBondContact CD2-O 3.48Å; L260-Y310 HydrophobicContact CG-CD1 3.56Å; L260-Y310 HydrophobicContact CG-CE1 3.55Å; L260-K312 HydrophobicContact CD1-CB 4.39Å; L260-K312 HydrophobicContact CD2-CB 4.46Å; L260-W326 HydrophobicContact CD1-CH2 4.07Å; L260-W326 HydrophobicContact CD1-CZ3 3.59Å | ||
| 261 | V | 79.6 | Confident | 83.8 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 30% | 0.297 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -131.7 | 145.6 | 176.6 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | F254 A265 V266 | F254-V261 PolarHBondContact O-N 3.01Å; V261-A265 HydrophobicContact CG1-CB 3.34Å; V261-V266 HydrophobicContact CB-CG1 3.62Å; V261-V266 HydrophobicContact CG1-CG1 3.87Å |
| 262 | E | 75.5 | Confident | 83.8 | Confident | 155 Ų | 155 | 53.1 Ų | 53.1 | 72% | 0.724 | 30% | 0.296 | S | S | * | . | trans | -62.2 | 150.1 | 175.5 | -69.7 | -171.4 | 170.9 | 0 | 0 | 111.2 | A264 A265 V266 | E262-A264 VanDerWaalsContact C-N 3.25Å; E262-A264 PolarHBondContact O-N 2.8Å; E262-A264 VanDerWaalsContact O-N 3.13Å; E262-A265 PolarHBondContact O-N 2.69Å; E262-V266 PolarHBondContact O-N 2.79Å; E262-V266 VanDerWaalsContact O-N 3.16Å | ||
| 263 | Q | 76.1 | Confident | 83.9 | Confident | 75 Ų | 75 | 53.2 Ų | 53.2 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -49.9 | -44.2 | -176.3 | -173.7 | -177.5 | 0.7 | 0 | 0 | 113 | A265 V266 V267 M273 | Q263-A265 VanDerWaalsContact C-N 3.26Å; Q263-A265 PolarHBondContact O-N 2.98Å; Q263-V266 WeakPolarHBondContact O-CG2 3.38Å; Q263-V266 PolarHBondContact O-N 3.07Å; Q263-V267 HydrophobicContact CG-CG2 4.47Å; Q263-V267 WeakPolarHBondContact O-CG2 3.24Å; Q263-V267 PolarHBondContact O-N 2.86Å; Q263-V267 VanDerWaalsContact O-N 3.11Å; Q263-M273 HydrophobicContact CG-CE 3.9Å |
| 264 | A | 78.1 | Confident | 83.9 | Confident | 67 Ų | 67 | 57.3 Ų | 57.3 | 55% | 0.554 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.9 | -35.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E262 Q268 | E262-A264 VanDerWaalsContact C-N 3.25Å; E262-A264 PolarHBondContact O-N 2.8Å; E262-A264 VanDerWaalsContact O-N 3.13Å; A264-Q268 WeakPolarHBondContact O-CG 3.43Å; A264-Q268 PolarHBondContact O-N 2.65Å |
| 265 | A | 80.8 | Confident | 83.8 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 31% | 0.314 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -82.7 | -31 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V261 E262 Q263 Q268 K269 | V261-A265 HydrophobicContact CG1-CB 3.34Å; E262-A265 PolarHBondContact O-N 2.69Å; Q263-A265 VanDerWaalsContact C-N 3.26Å; Q263-A265 PolarHBondContact O-N 2.98Å; A265-Q268 PolarHBondContact O-N 2.86Å; A265-K269 PolarHBondContact O-N 2.74Å |
| 266 | V | 80.9 | Confident | 83.5 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.024 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.3 | -36.4 | 171.9 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | F254 V261 E262 Q263 Q268 K269 G270 F271 | F254-V266 HydrophobicContact CE1-CG2 3.78Å; F254-V266 HydrophobicContact CE2-CB 4.41Å; F254-V266 HydrophobicContact CE2-CG2 4.34Å; F254-V266 HydrophobicContact CZ-CB 4.15Å; F254-V266 HydrophobicContact CZ-CG2 3.65Å; V261-V266 HydrophobicContact CB-CG1 3.62Å; V261-V266 HydrophobicContact CG1-CG1 3.87Å; E262-V266 PolarHBondContact O-N 2.79Å; E262-V266 VanDerWaalsContact O-N 3.16Å; Q263-V266 WeakPolarHBondContact O-CG2 3.38Å; Q263-V266 PolarHBondContact O-N 3.07Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 2.86Å; V266-K269 CarbonylContact O-C 3.55Å; V266-K269 WeakPolarHBondContact O-CA 3.5Å; V266-K269 WeakPolarHBondContact O-CB 3.48Å; V266-K269 PolarHBondContact O-N 3.24Å; V266-G270 PolarHBondContact O-N 2.9Å; V266-F271 HydrophobicContact CB-CB 4.1Å; V266-F271 HydrophobicContact CB-CD2 4.32Å; V266-F271 HydrophobicContact CB-CG 4.27Å; V266-F271 WeakPolarHBondContact O-CB 3.31Å; V266-F271 WeakPolarHBondContact O-CD2 3.29Å; V266-F271 PolarHBondContact O-N 3.03Å; V266-F271 VanDerWaalsContact O-N 3.11Å |
| 267 | V | 82.9 | Confident | 83.3 | Confident | 78 Ų | 78 | 74 Ų | 74 | 47% | 0.473 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | Q263 K269 G270 | Q263-V267 HydrophobicContact CG-CG2 4.47Å; Q263-V267 WeakPolarHBondContact O-CG2 3.24Å; Q263-V267 PolarHBondContact O-N 2.86Å; Q263-V267 VanDerWaalsContact O-N 3.11Å; V267-K269 PolarHBondContact O-N 2.94Å; V267-G270 PolarHBondContact O-N 3.5Å |
| 268 | Q | 83.6 | Confident | 83.5 | Confident | 170 Ų | 170 | 75.4 Ų | 75.4 | 79% | 0.794 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.4 | -25.7 | 172.3 | -75.1 | 177.2 | 8.1 | 0 | 0 | 113.3 | A264 A265 V266 G270 | A264-Q268 WeakPolarHBondContact O-CG 3.43Å; A264-Q268 PolarHBondContact O-N 2.65Å; A265-Q268 PolarHBondContact O-N 2.86Å; V266-Q268 VanDerWaalsContact C-N 3.33Å; V266-Q268 PolarHBondContact O-N 2.86Å; Q268-G270 VanDerWaalsContact C-N 3.3Å |
| 269 | K | 85 | Confident | 84.2 | Confident | 119 Ų | 119 | 75.4 Ų | 75.4 | 52% | 0.517 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 7.1 | 174.2 | -69.4 | -168.6 | 172.2 | -154 | 0 | 113.5 | A265 V266 V267 F271 E289 | A265-K269 PolarHBondContact O-N 2.74Å; V266-K269 CarbonylContact O-C 3.55Å; V266-K269 WeakPolarHBondContact O-CA 3.5Å; V266-K269 WeakPolarHBondContact O-CB 3.48Å; V266-K269 PolarHBondContact O-N 3.24Å; V267-K269 PolarHBondContact O-N 2.94Å; K269-F271 HydrophobicContact CB-CD2 4.01Å; K269-F271 HydrophobicContact CB-CE2 4.14Å; K269-E289 IonicContact NZ-OE2 2.74Å; K269-E289 PolarHBondContact NZ-OE2 3.46Å |
| 270 | G | 87.3 | Confident | 84.7 | Confident | 33 Ų | 33 | 71 Ų | 71 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 5.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y234 V266 V267 Q268 | Y234-G270 WeakPolarHBondContact CE1-O 3.44Å; V266-G270 PolarHBondContact O-N 2.9Å; V267-G270 PolarHBondContact O-N 3.5Å; Q268-G270 VanDerWaalsContact C-N 3.3Å |
| 271 | F | 90.9 | Very high | 85.1 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 6% | 0.057 | 38% | 0.376 | C | S | . | . | trans | -73.1 | 145.6 | 173.3 | -68.5 | -109 | 0 | 0 | 0 | 110.8 | F254 L256 V266 K269 G283 I284 A288 | F254-F271 HydrophobicContact CE2-CB 4.14Å; F254-F271 AromaticContact CE2-CD1 3.63Å; F254-F271 HydrophobicContact CE2-CD1 3.63Å; F254-F271 HydrophobicContact CE2-CE1 4.32Å; F254-F271 HydrophobicContact CE2-CG 4.15Å; F254-F271 HydrophobicContact CZ-CB 4.04Å; F254-F271 HydrophobicContact CZ-CD1 4.37Å; L256-F271 HydrophobicContact CD1-CE1 4.2Å; L256-F271 HydrophobicContact CD1-CZ 3.91Å; L256-F271 HydrophobicContact CG-CE1 4.22Å; L256-F271 HydrophobicContact CG-CZ 4.18Å; V266-F271 HydrophobicContact CB-CB 4.1Å; V266-F271 HydrophobicContact CB-CD2 4.32Å; V266-F271 HydrophobicContact CB-CG 4.27Å; V266-F271 WeakPolarHBondContact O-CB 3.31Å; V266-F271 WeakPolarHBondContact O-CD2 3.29Å; V266-F271 PolarHBondContact O-N 3.03Å; V266-F271 VanDerWaalsContact O-N 3.11Å; K269-F271 HydrophobicContact CB-CD2 4.01Å; K269-F271 HydrophobicContact CB-CE2 4.14Å; F271-G283 WeakPolarHBondContact CA-O 3.3Å; F271-I284 HydrophobicContact CD1-CB 4.29Å; F271-I284 HydrophobicContact CD1-CG1 4.04Å; F271-I284 HydrophobicContact CD1-CG2 4.27Å; F271-I284 HydrophobicContact CE1-CB 4.13Å; F271-I284 HydrophobicContact CE1-CG1 3.94Å; F271-I284 HydrophobicContact CE1-CG2 3.67Å; F271-I284 HydrophobicContact CZ-CG2 4.32Å; F271-A288 HydrophobicContact CE1-CB 4.42Å; F271-A288 HydrophobicContact CE2-CB 4.22Å; F271-A288 HydrophobicContact CZ-CB 3.79Å | ||
| 272 | I | 90.5 | Very high | 85.8 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.4 | 175 | -60.3 | 173.6 | 0 | 0 | 0 | 108 | Y234 E274 I282 G283 | Y234-I272 HydrophobicContact CD1-CD1 3.85Å; Y234-I272 HydrophobicContact CD1-CG1 4.23Å; Y234-I272 HydrophobicContact CD2-CD1 4.14Å; Y234-I272 HydrophobicContact CE1-CD1 3.61Å; Y234-I272 HydrophobicContact CE1-CG1 3.85Å; Y234-I272 HydrophobicContact CE2-CD1 3.94Å; Y234-I272 HydrophobicContact CG-CD1 4.11Å; I272-E274 HydrophobicContact CG2-CG 3.77Å; I272-I282 CarbonylContact O-C 3.53Å; I272-I282 WeakPolarHBondContact O-CA 3.45Å; I272-G283 PolarHBondContact N-O 3.22Å; I272-G283 PolarHBondContact O-N 2.93Å |
| 273 | M | 89.9 | Confident | 86.6 | Confident | 19 Ų | 19 | 63 Ų | 63 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 114.5 | 165.4 | -175.1 | -87.1 | -100.6 | 0 | 0 | 109 | I252 F254 Q263 R275 V280 Q281 | I252-M273 HydrophobicContact CB-CE 4.36Å; F254-M273 HydrophobicContact CE1-CB 3.93Å; F254-M273 HydrophobicContact CE1-CG 4.18Å; F254-M273 HydrophobicContact CZ-CB 4.31Å; Q263-M273 HydrophobicContact CG-CE 3.9Å; M273-R275 HydrophobicContact SD-CG 4.5Å; M273-V280 HydrophobicContact CG-CG1 4.06Å; M273-V280 HydrophobicContact SD-CG1 4.28Å; M273-Q281 WeakPolarHBondContact CA-O 3.37Å |
| 274 | E | 89.4 | Confident | 87.5 | Confident | 115 Ų | 115 | 59.4 Ų | 59.4 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.9 | -176.8 | -68.8 | -174.9 | 174 | 0 | 0 | 110.5 | I272 V280 Q281 | I272-E274 HydrophobicContact CG2-CG 3.77Å; E274-V280 WeakPolarHBondContact O-CA 3.38Å; E274-Q281 PolarHBondContact N-O 2.98Å; E274-Q281 PolarHBondContact O-N 3.43Å |
| 275 | R | 89.2 | Confident | 88.2 | Confident | 102 Ų | 102 | 56.6 Ų | 56.6 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.9 | 172.3 | -68 | -180 | 175.4 | 91.5 | -1.4 | 108 | E241 T250 M273 T279 V280 | E241-R275 VanDerWaalsContact OE1-CD 3.28Å; E241-R275 WeakPolarHBondContact OE1-CD 3.35Å; E241-R275 IonicContact OE1-CZ 2.95Å; E241-R275 IonicContact OE1-NE 3.81Å; E241-R275 PolarHBondContact OE1-NE 2.8Å; T250-R275 PolarHBondContact O-NH2 3.48Å; M273-R275 HydrophobicContact SD-CG 4.5Å; R275-T279 CarbonylContact C-O 3.5Å; R275-T279 WeakPolarHBondContact CA-O 3.44Å; R275-V280 HydrophobicContact CG-CG2 4.44Å |
| 276 | Y | 83.4 | Confident | 88.5 | Confident | 149 Ų | 149 | 59.5 Ų | 59.5 | 58% | 0.584 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 125 | 179.4 | -177.3 | -103.5 | 0 | 0 | 0 | 109.7 | S278 T279 | Y276-S278 VanDerWaalsContact C-N 3.3Å; Y276-S278 PolarHBondContact O-N 2.9Å; Y276-T279 PolarHBondContact N-O 2.86Å; Y276-T279 WeakPolarHBondContact O-CA 3.35Å; Y276-T279 WeakPolarHBondContact O-CB 3.38Å; Y276-T279 PolarHBondContact O-N 2.89Å |
| 277 | N | 83.6 | Confident | 88.6 | Confident | 113 Ų | 113 | 64.7 Ų | 64.7 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 44 | 178.9 | -65 | -13.5 | 0 | 0 | 0 | 114.7 | T279 | N277-T279 PolarHBondContact O-N 2.77Š|
| 278 | S | 86.4 | Confident | 88.8 | Confident | 70 Ų | 70 | 61.4 Ų | 61.4 | 49% | 0.49 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 19.2 | -176.2 | -60.9 | 0 | 0 | 0 | 0 | 115.1 | E241 Y276 | E241-S278 VanDerWaalsContact CB-O 3.29Å; E241-S278 WeakPolarHBondContact CB-O 3.32Å; E241-S278 PolarHBondContact N-O 3.15Å; Y276-S278 VanDerWaalsContact C-N 3.3Å; Y276-S278 PolarHBondContact O-N 2.9Å |
| 279 | T | 90.6 | Very high | 88.8 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.4 | 168.4 | -63.7 | 0 | 0 | 0 | 0 | 109.4 | T195 V197 R275 Y276 N277 Q281 | T195-T279 WeakPolarHBondContact CB-OG1 3.36Å; T195-T279 PolarHBondContact O-OG1 2.92Å; T195-T279 PolarHBondContact OG1-OG1 3.29Å; V197-T279 HydrophobicContact CG2-CG2 3.47Å; V197-T279 VanDerWaalsContact CG2-CG2 3.47Å; R275-T279 CarbonylContact C-O 3.5Å; R275-T279 WeakPolarHBondContact CA-O 3.44Å; Y276-T279 PolarHBondContact N-O 2.86Å; Y276-T279 WeakPolarHBondContact O-CA 3.35Å; Y276-T279 WeakPolarHBondContact O-CB 3.38Å; Y276-T279 PolarHBondContact O-N 2.89Å; N277-T279 PolarHBondContact O-N 2.77Å; T279-Q281 HydrophobicContact CG2-CG 4.43Å |
| 280 | V | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.5 | 173.4 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | G238 T239 E241 I252 M273 E274 R275 I282 | G238-V280 VanDerWaalsContact CA-O 3.32Å; G238-V280 WeakPolarHBondContact CA-O 3.48Å; T239-V280 HydrophobicContact CG2-CB 4.2Å; T239-V280 PolarHBondContact N-O 2.83Å; T239-V280 PolarHBondContact O-N 3.13Å; E241-V280 HydrophobicContact CB-CG2 3.91Å; E241-V280 HydrophobicContact CG-CG2 4.16Å; I252-V280 HydrophobicContact CD1-CB 3.94Å; I252-V280 HydrophobicContact CD1-CG1 3.58Å; I252-V280 HydrophobicContact CD1-CG2 3.25Å; M273-V280 HydrophobicContact CG-CG1 4.06Å; M273-V280 HydrophobicContact SD-CG1 4.28Å; E274-V280 WeakPolarHBondContact O-CA 3.38Å; R275-V280 HydrophobicContact CG-CG2 4.44Å; V280-I282 HydrophobicContact CG1-CG1 4.26Å |
| 281 | Q | 92.6 | Very high | 88.5 | Confident | 81 Ų | 81 | 55.7 Ų | 55.7 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136.2 | 173 | -74.4 | -175 | -34.9 | 0 | 0 | 110.2 | M273 E274 T279 | M273-Q281 WeakPolarHBondContact CA-O 3.37Å; E274-Q281 PolarHBondContact N-O 2.98Å; E274-Q281 PolarHBondContact O-N 3.43Å; T279-Q281 HydrophobicContact CG2-CG 4.43Å |
| 282 | I | 92.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 117.4 | -178.5 | -60.1 | 177.4 | 0 | 0 | 0 | 107.7 | I236 W237 F254 I272 V280 I284 L311 | I236-I282 CarbonylContact C-O 3.57Å; I236-I282 VanDerWaalsContact CA-O 3.29Å; I236-I282 WeakPolarHBondContact CA-O 3.19Å; W237-I282 HydrophobicContact CE3-CD1 4.14Å; W237-I282 HydrophobicContact CZ3-CD1 4.27Å; W237-I282 PolarHBondContact N-O 2.79Å; W237-I282 PolarHBondContact O-N 3.42Å; F254-I282 HydrophobicContact CD1-CD1 4.2Å; F254-I282 HydrophobicContact CD2-CG2 3.91Å; F254-I282 HydrophobicContact CE1-CG2 4.42Å; F254-I282 HydrophobicContact CE2-CG2 3.55Å; F254-I282 HydrophobicContact CG-CD1 4.19Å; F254-I282 HydrophobicContact CG-CG2 4.5Å; F254-I282 HydrophobicContact CZ-CG2 3.83Å; I272-I282 CarbonylContact O-C 3.53Å; I272-I282 WeakPolarHBondContact O-CA 3.45Å; V280-I282 HydrophobicContact CG1-CG1 4.26Å; I282-I284 HydrophobicContact CG2-CG1 4.27Å; I282-L311 HydrophobicContact CD1-CD1 3.07Å |
| 283 | G | 93.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 58 Ų | 58 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F271 I272 | F271-G283 WeakPolarHBondContact CA-O 3.3Å; I272-G283 PolarHBondContact N-O 3.22Å; I272-G283 PolarHBondContact O-N 2.93Å |
| 284 | I | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.7 | 175 | -56.7 | 163 | 0 | 0 | 0 | 107.4 | Y234 M235 L256 F271 I282 A288 F307 L309 L331 | Y234-I284 CarbonylContact C-O 3.52Å; Y234-I284 VanDerWaalsContact CA-O 3.3Å; Y234-I284 WeakPolarHBondContact CA-O 3.43Å; M235-I284 HydrophobicContact CB-CB 4.39Å; M235-I284 PolarHBondContact N-O 3.15Å; M235-I284 PolarHBondContact O-N 3Å; L256-I284 HydrophobicContact CD1-CG2 4.2Å; L256-I284 HydrophobicContact CD2-CD1 4.1Å; F271-I284 HydrophobicContact CD1-CB 4.29Å; F271-I284 HydrophobicContact CD1-CG1 4.04Å; F271-I284 HydrophobicContact CD1-CG2 4.27Å; F271-I284 HydrophobicContact CE1-CB 4.13Å; F271-I284 HydrophobicContact CE1-CG1 3.94Å; F271-I284 HydrophobicContact CE1-CG2 3.67Å; F271-I284 HydrophobicContact CZ-CG2 4.32Å; I282-I284 HydrophobicContact CG2-CG1 4.27Å; I284-A288 HydrophobicContact CG2-CB 3.77Å; I284-F307 HydrophobicContact CD1-CB 4.16Å; I284-F307 HydrophobicContact CD1-CG 4.43Å; I284-F307 HydrophobicContact CG2-CD1 3.62Å; I284-F307 HydrophobicContact CG2-CD2 4.39Å; I284-F307 HydrophobicContact CG2-CE1 3.7Å; I284-F307 HydrophobicContact CG2-CE2 4.45Å; I284-F307 HydrophobicContact CG2-CG 3.99Å; I284-F307 HydrophobicContact CG2-CZ 4.14Å; I284-L309 HydrophobicContact CD1-CD1 4.35Å; I284-L331 HydrophobicContact CD1-CD1 3.84Å |
| 285 | P | 92.9 | Very high | 87.9 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 144.4 | 178.6 | 24.3 | -30.1 | 0 | 0 | 0 | 110.3 | Y234 D287 A288 | Y234-P285 HydrophobicContact CD1-CB 4.02Å; Y234-P285 HydrophobicContact CE1-CB 3.71Å; Y234-P285 HydrophobicContact CE1-CG 4.28Å; P285-D287 PolarHBondContact O-N 2.9Å; P285-D287 VanDerWaalsContact O-N 3.16Å; P285-A288 HydrophobicContact CG-CB 3.96Å; P285-A288 WeakPolarHBondContact O-CB 3.46Å; P285-A288 PolarHBondContact O-N 3.14Å |
| 286 | Y | 86.8 | Confident | 87.9 | Confident | 98 Ų | 98 | 51.4 Ų | 51.4 | 38% | 0.384 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.9 | -175 | 78.6 | -86.6 | 0 | 0 | 0 | 113 | G233 A288 Y305 | G233-Y286 WeakPolarHBondContact O-CD1 3.1Å; G233-Y286 PolarHBondContact O-N 2.79Å; Y286-A288 VanDerWaalsContact C-N 3.33Å; Y286-Y305 HydrophobicContact CD2-CE1 4.17Å; Y286-Y305 AromaticContact CD2-CE2 3.93Å; Y286-Y305 HydrophobicContact CD2-CE2 3.93Å; Y286-Y305 AromaticContact CD2-CZ 3.64Å; Y286-Y305 WeakPolarHBondContact O-CD1 3.27Å; Y286-Y305 VanDerWaalsContact O-CE1 3.28Å; Y286-Y305 WeakPolarHBondContact O-CE1 3.36Å |
| 287 | D | 82.8 | Confident | 88 | Confident | 113 Ų | 113 | 44.9 Ų | 44.9 | 60% | 0.604 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 13.9 | 176.6 | 66.9 | -23 | 0 | 0 | 0 | 113.5 | P285 E289 | P285-D287 PolarHBondContact O-N 2.9Å; P285-D287 VanDerWaalsContact O-N 3.16Å; D287-E289 PolarHBondContact O-N 2.88Å |
| 288 | A | 88.1 | Confident | 87.9 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 8% | 0.083 | 23% | 0.228 | C | C | . | . | trans | -54.9 | 133.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L256 F271 I284 P285 Y286 G290 G291 F307 | L256-A288 HydrophobicContact CD1-CB 4.07Å; F271-A288 HydrophobicContact CE1-CB 4.42Å; F271-A288 HydrophobicContact CE2-CB 4.22Å; F271-A288 HydrophobicContact CZ-CB 3.79Å; I284-A288 HydrophobicContact CG2-CB 3.77Å; P285-A288 HydrophobicContact CG-CB 3.96Å; P285-A288 WeakPolarHBondContact O-CB 3.46Å; P285-A288 PolarHBondContact O-N 3.14Å; Y286-A288 VanDerWaalsContact C-N 3.33Å; A288-G290 PolarHBondContact O-N 2.88Å; A288-G291 PolarHBondContact O-N 3.41Å; A288-F307 HydrophobicContact CB-CE1 4.14Å | ||
| 289 | E | 84.2 | Confident | 87.5 | Confident | 149 Ų | 149 | 47.2 Ų | 47.2 | 70% | 0.696 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 128.1 | 170.5 | -173 | -175 | -159.1 | 0 | 0 | 110.5 | K269 D287 | K269-E289 IonicContact NZ-OE2 2.74Å; K269-E289 PolarHBondContact NZ-OE2 3.46Å; D287-E289 PolarHBondContact O-N 2.88Å |
| 290 | G | 79.6 | Confident | 87.3 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -10 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N257 A288 | N257-G290 PolarHBondContact ND2-O 2.82Å; A288-G290 PolarHBondContact O-N 2.88Å |
| 291 | G | 86.5 | Confident | 87.2 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | trans | -71.1 | 148.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A288 | A288-G291 PolarHBondContact O-N 3.41Š| ||
| 292 | Y | 85.4 | Confident | 87.1 | Confident | 55 Ų | 55 | 45.7 Ų | 45.7 | 22% | 0.216 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.6 | 174.5 | -59.4 | -83.3 | 0 | 0 | 0 | 110.1 | L52 N257 Y305 I306 | L52-Y292 HydrophobicContact CD1-CD1 3.44Å; L52-Y292 VanDerWaalsContact CD1-CD1 3.44Å; L52-Y292 HydrophobicContact CD1-CD2 3.77Å; L52-Y292 HydrophobicContact CD1-CE1 4.05Å; L52-Y292 HydrophobicContact CD1-CE2 4.35Å; L52-Y292 HydrophobicContact CD1-CG 3.26Å; L52-Y292 HydrophobicContact CD2-CD1 4.06Å; L52-Y292 HydrophobicContact CD2-CG 4.15Å; L52-Y292 HydrophobicContact CG-CD1 4.27Å; L52-Y292 HydrophobicContact CG-CG 4.32Å; N257-Y292 WeakPolarHBondContact OD1-CE2 3.5Å; Y292-Y305 CarbonylContact O-C 3.47Å; Y292-Y305 WeakPolarHBondContact O-CA 3.49Å; Y292-I306 PolarHBondContact N-O 2.94Å; Y292-I306 PolarHBondContact O-N 2.81Å |
| 293 | R | 86.5 | Confident | 87 | Confident | 68 Ų | 68 | 46.7 Ų | 46.7 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.4 | 179.5 | 177.7 | -165.5 | 162.7 | -76.7 | -9.8 | 110.2 | S295 E303 Y305 D363 | R293-S295 PolarHBondContact NH2-OG 2.59Å; R293-E303 VanDerWaalsContact CZ-CD 3.48Å; R293-E303 IonicContact CZ-OE1 3.48Å; R293-E303 IonicContact CZ-OE2 3.29Å; R293-E303 IonicContact NE-OE1 3.31Å; R293-E303 IonicContact NE-OE2 3.63Å; R293-E303 PolarHBondContact NE-OE2 3.01Å; R293-E303 IonicContact NH2-OE1 2.65Å; R293-E303 PolarHBondContact NH2-OE1 3.38Å; R293-E303 IonicContact NH2-OE2 2.59Å; R293-E303 PolarHBondContact NH2-OE2 2.54Å; R293-Y305 HydrophobicContact CB-CD1 3.81Å; R293-Y305 HydrophobicContact CB-CE1 3.63Å; R293-Y305 HydrophobicContact CG-CD1 4.13Å; R293-Y305 HydrophobicContact CG-CE1 3.58Å; R293-D363 IonicContact CZ-OD1 2.78Å; R293-D363 IonicContact NH1-OD1 3.69Å; R293-D363 PolarHBondContact NH1-OD1 3.11Å; R293-D363 IonicContact NH2-OD1 2.87Å |
| 294 | K | 86.6 | Confident | 86.8 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 139.1 | 171.6 | -169 | 71.4 | -175 | -177.7 | 0 | 111.9 | L51 E303 F304 D363 K435 P436 | L51-K294 HydrophobicContact CB-CD 4.04Å; L51-K294 HydrophobicContact CB-CG 4.02Å; L51-K294 HydrophobicContact CD2-CD 4.4Å; L51-K294 HydrophobicContact CD2-CG 4.04Å; L51-K294 HydrophobicContact CG-CG 4.48Å; L51-K294 WeakPolarHBondContact O-CD 3.41Å; L51-K294 VanDerWaalsContact O-CE 3.3Å; L51-K294 WeakPolarHBondContact O-CE 3.33Å; L51-K294 PolarHBondContact O-NZ 2.84Å; K294-E303 CarbonylContact O-C 3.57Å; K294-E303 VanDerWaalsContact O-CA 3.25Å; K294-E303 WeakPolarHBondContact O-CA 3.4Å; K294-F304 HydrophobicContact CB-CD1 4.37Å; K294-F304 HydrophobicContact CB-CE1 3.72Å; K294-F304 HydrophobicContact CB-CE2 4.08Å; K294-F304 HydrophobicContact CB-CZ 3.56Å; K294-F304 HydrophobicContact CG-CE1 3.86Å; K294-F304 HydrophobicContact CG-CZ 3.73Å; K294-F304 PolarHBondContact N-O 2.95Å; K294-F304 PolarHBondContact O-N 2.83Å; K294-D363 WeakPolarHBondContact CD-OD2 3.29Å; K294-K435 PolarHBondContact NZ-O 2.77Å; K294-P436 VanDerWaalsContact NZ-CD 3.25Å |
| 295 | S | 89.5 | Confident | 86.6 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 152.4 | 170 | -49.7 | 0 | 0 | 0 | 0 | 110.8 | R293 S302 P361 D363 V434 | R293-S295 PolarHBondContact NH2-OG 2.59Å; S295-S302 CarbonylContact C-O 3.52Å; S295-S302 VanDerWaalsContact CA-O 3.28Å; S295-S302 WeakPolarHBondContact CA-O 3.44Å; S295-P361 VanDerWaalsContact OG-CB 3.28Å; S295-P361 WeakPolarHBondContact OG-CB 3.43Å; S295-D363 PolarHBondContact N-OD2 3.22Å; S295-D363 VanDerWaalsContact OG-CG 3.32Å; S295-D363 PolarHBondContact OG-OD1 2.62Å; S295-D363 PolarHBondContact OG-OD2 3.03Å; S295-V434 WeakPolarHBondContact O-CG1 3.46Å |
| 296 | F | 87.7 | Confident | 86.4 | Confident | 79 Ų | 79 | 48.8 Ų | 48.8 | 35% | 0.346 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 143.4 | 178.6 | -173.8 | -106.2 | 0 | 0 | 0 | 109.8 | S302 F304 L335 | F296-S302 PolarHBondContact N-O 2.59Å; F296-S302 PolarHBondContact O-N 2.87Å; F296-F304 HydrophobicContact CB-CD1 4.23Å; F296-F304 HydrophobicContact CB-CE1 4Å; F296-L335 HydrophobicContact CB-CD2 4.12Å; F296-L335 HydrophobicContact CD1-CD1 3.96Å; F296-L335 HydrophobicContact CD1-CD2 4.02Å; F296-L335 HydrophobicContact CE1-CD1 4.3Å; F296-L335 HydrophobicContact CG-CD2 4.33Å |
| 297 | V | 87.1 | Confident | 86.6 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.1 | 176.6 | 178.2 | 0 | 0 | 0 | 0 | 107.6 | L301 V434 E439 Y441 | V297-L301 HydrophobicContact CG2-CD1 4.03Å; V297-V434 HydrophobicContact CG2-CG2 3.5Å; V297-V434 VanDerWaalsContact CG2-CG2 3.5Å; V297-E439 HydrophobicContact CB-CB 4.47Å; V297-Y441 HydrophobicContact CG1-CD2 4.49Å |
| 298 | S | 80.1 | Confident | 86.9 | Confident | 65 Ų | 65 | 39.3 Ų | 39.3 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -118.3 | -97.1 | 162.2 | 59.4 | 0 | 0 | 0 | 0 | 108.1 | ||
| 299 | D | 78.8 | Confident | 87.1 | Confident | 166 Ų | 166 | 38.9 Ų | 38.9 | 89% | 0.888 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -91.5 | -25.2 | 170.4 | -63.5 | -36.3 | 0 | 0 | 0 | 111.9 | ||
| 300 | C | 85.7 | Confident | 87.5 | Confident | 52 Ų | 52 | 32 Ų | 32 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -140.5 | 161.2 | 178 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | S302 | C300-S302 PolarHBondContact O-N 3.32Å; C300-S302 PolarHBondContact O-OG 2.84Å |
| 301 | L | 90.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 116.7 | 173.2 | -172.9 | 64.4 | 0 | 0 | 0 | 109.6 | V297 S338 L340 P361 V364 V434 Y441 | V297-L301 HydrophobicContact CG2-CD1 4.03Å; L301-S338 CarbonylContact O-C 3.59Å; L301-S338 PolarHBondContact O-N 2.91Å; L301-L340 HydrophobicContact CD2-CD1 4.24Å; L301-L340 HydrophobicContact CD2-CD2 3.72Å; L301-L340 HydrophobicContact CD2-CG 3.91Å; L301-P361 HydrophobicContact CD2-CG 4.09Å; L301-V364 HydrophobicContact CD1-CG2 4.15Å; L301-V434 HydrophobicContact CD1-CG2 4.34Å; L301-Y441 HydrophobicContact CB-CD1 4.09Å; L301-Y441 HydrophobicContact CB-CD2 4.15Å; L301-Y441 HydrophobicContact CB-CE1 3.97Å; L301-Y441 HydrophobicContact CB-CE2 4.05Å; L301-Y441 HydrophobicContact CB-CG 4.17Å; L301-Y441 HydrophobicContact CD2-CD1 4.41Å; L301-Y441 HydrophobicContact CD2-CE1 4.48Å |
| 302 | S | 91 | Very high | 88.4 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 166.2 | -179.3 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | S295 F296 C300 L336 | S295-S302 CarbonylContact C-O 3.52Å; S295-S302 VanDerWaalsContact CA-O 3.28Å; S295-S302 WeakPolarHBondContact CA-O 3.44Å; F296-S302 PolarHBondContact N-O 2.59Å; F296-S302 PolarHBondContact O-N 2.87Å; C300-S302 PolarHBondContact O-N 3.32Å; C300-S302 PolarHBondContact O-OG 2.84Å; S302-L336 CarbonylContact C-O 3.45Å; S302-L336 VanDerWaalsContact CA-O 3.23Å; S302-L336 WeakPolarHBondContact CA-O 3.2Å; S302-L336 WeakPolarHBondContact CB-O 3.49Å |
| 303 | E | 89.7 | Confident | 88.7 | Confident | 20 Ų | 20 | 30 Ų | 30 | 9% | 0.093 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.8 | 178.1 | -66.7 | 175 | -165.9 | 0 | 0 | 109.7 | R293 K294 Y305 L336 S338 | R293-E303 VanDerWaalsContact CZ-CD 3.48Å; R293-E303 IonicContact CZ-OE1 3.48Å; R293-E303 IonicContact CZ-OE2 3.29Å; R293-E303 IonicContact NE-OE1 3.31Å; R293-E303 IonicContact NE-OE2 3.63Å; R293-E303 PolarHBondContact NE-OE2 3.01Å; R293-E303 IonicContact NH2-OE1 2.65Å; R293-E303 PolarHBondContact NH2-OE1 3.38Å; R293-E303 IonicContact NH2-OE2 2.59Å; R293-E303 PolarHBondContact NH2-OE2 2.54Å; K294-E303 CarbonylContact O-C 3.57Å; K294-E303 VanDerWaalsContact O-CA 3.25Å; K294-E303 WeakPolarHBondContact O-CA 3.4Å; E303-Y305 HydrophobicContact CB-CE2 4.33Å; E303-Y305 PolarHBondContact OE2-OH 2.86Å; E303-L336 PolarHBondContact N-O 2.95Å; E303-L336 WeakPolarHBondContact O-CB 3.37Å; E303-L336 PolarHBondContact O-N 3.02Å; E303-S338 VanDerWaalsContact CD-CB 3.45Å; E303-S338 VanDerWaalsContact CD-OG 3.3Å; E303-S338 WeakPolarHBondContact OE1-CB 3.23Å; E303-S338 PolarHBondContact OE1-OG 3.2Å |
| 304 | F | 89.4 | Confident | 89 | Confident | 20 Ų | 20 | 27.3 Ų | 27.3 | 9% | 0.088 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 159.4 | 169.2 | 63.1 | -78.9 | 0 | 0 | 0 | 109.7 | L51 K294 F296 I306 V332 T333 L335 | L51-F304 HydrophobicContact CD1-CE2 3.95Å; L51-F304 HydrophobicContact CD1-CZ 3.49Å; L51-F304 VanDerWaalsContact CD1-CZ 3.49Å; L51-F304 HydrophobicContact CG-CZ 4.45Å; K294-F304 HydrophobicContact CB-CD1 4.37Å; K294-F304 HydrophobicContact CB-CE1 3.72Å; K294-F304 HydrophobicContact CB-CE2 4.08Å; K294-F304 HydrophobicContact CB-CZ 3.56Å; K294-F304 HydrophobicContact CG-CE1 3.86Å; K294-F304 HydrophobicContact CG-CZ 3.73Å; K294-F304 PolarHBondContact N-O 2.95Å; K294-F304 PolarHBondContact O-N 2.83Å; F296-F304 HydrophobicContact CB-CD1 4.23Å; F296-F304 HydrophobicContact CB-CE1 4Å; F304-I306 HydrophobicContact CD2-CG1 4.22Å; F304-I306 HydrophobicContact CE2-CD1 4.08Å; F304-I306 HydrophobicContact CE2-CG1 4.13Å; F304-V332 HydrophobicContact CD2-CG1 4.03Å; F304-T333 WeakPolarHBondContact CA-OG1 3.16Å; F304-L335 HydrophobicContact CB-CD2 4.21Å; F304-L335 HydrophobicContact CD1-CD2 3.75Å; F304-L335 HydrophobicContact CG-CD2 4.27Å |
| 305 | Y | 89.7 | Confident | 89.2 | Confident | 24 Ų | 24 | 26.9 Ų | 26.9 | 9% | 0.094 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138 | -173.3 | -60.6 | -100.1 | 0 | 0 | 0 | 109.7 | Y286 Y292 R293 E303 F307 V332 T333 L336 | Y286-Y305 HydrophobicContact CD2-CE1 4.17Å; Y286-Y305 AromaticContact CD2-CE2 3.93Å; Y286-Y305 HydrophobicContact CD2-CE2 3.93Å; Y286-Y305 AromaticContact CD2-CZ 3.64Å; Y286-Y305 WeakPolarHBondContact O-CD1 3.27Å; Y286-Y305 VanDerWaalsContact O-CE1 3.28Å; Y286-Y305 WeakPolarHBondContact O-CE1 3.36Å; Y292-Y305 CarbonylContact O-C 3.47Å; Y292-Y305 WeakPolarHBondContact O-CA 3.49Å; R293-Y305 HydrophobicContact CB-CD1 3.81Å; R293-Y305 HydrophobicContact CB-CE1 3.63Å; R293-Y305 HydrophobicContact CG-CD1 4.13Å; R293-Y305 HydrophobicContact CG-CE1 3.58Å; E303-Y305 HydrophobicContact CB-CE2 4.33Å; E303-Y305 PolarHBondContact OE2-OH 2.86Å; Y305-F307 HydrophobicContact CG-CZ 4.39Å; Y305-V332 WeakPolarHBondContact O-CA 3.44Å; Y305-T333 PolarHBondContact N-OG1 3.15Å; Y305-T333 PolarHBondContact O-N 2.88Å; Y305-L336 HydrophobicContact CD2-CD1 4.06Å; Y305-L336 HydrophobicContact CE2-CD1 3.96Å |
| 306 | I | 89.4 | Confident | 89.3 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 7% | 0.067 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.7 | 176.9 | -52.5 | 174.9 | 0 | 0 | 0 | 107.9 | L49 L52 Y292 F304 T330 L331 V332 | L49-I306 HydrophobicContact CD2-CD1 4.48Å; L52-I306 HydrophobicContact CD1-CD1 4.45Å; Y292-I306 PolarHBondContact N-O 2.94Å; Y292-I306 PolarHBondContact O-N 2.81Å; F304-I306 HydrophobicContact CD2-CG1 4.22Å; F304-I306 HydrophobicContact CE2-CD1 4.08Å; F304-I306 HydrophobicContact CE2-CG1 4.13Å; I306-T330 HydrophobicContact CG2-CG2 3.71Å; I306-L331 CarbonylContact C-O 3.6Å; I306-L331 WeakPolarHBondContact CA-O 3.29Å; I306-V332 HydrophobicContact CG1-CG1 4.41Å; I306-V332 HydrophobicContact CG1-CG2 4.28Å; I306-V332 HydrophobicContact CG2-CG2 4.37Å |
| 307 | F | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120 | 177.8 | -55.5 | -76.6 | 0 | 0 | 0 | 109.8 | M235 L256 I284 A288 Y305 L309 T330 L331 T333 | M235-F307 HydrophobicContact CB-CD2 4.03Å; M235-F307 HydrophobicContact CB-CE2 3.96Å; M235-F307 HydrophobicContact CG-CD2 4.22Å; L256-F307 HydrophobicContact CD1-CD1 3.87Å; L256-F307 HydrophobicContact CD2-CB 4.06Å; L256-F307 HydrophobicContact CD2-CD1 4.46Å; I284-F307 HydrophobicContact CD1-CB 4.16Å; I284-F307 HydrophobicContact CD1-CG 4.43Å; I284-F307 HydrophobicContact CG2-CD1 3.62Å; I284-F307 HydrophobicContact CG2-CD2 4.39Å; I284-F307 HydrophobicContact CG2-CE1 3.7Å; I284-F307 HydrophobicContact CG2-CE2 4.45Å; I284-F307 HydrophobicContact CG2-CG 3.99Å; I284-F307 HydrophobicContact CG2-CZ 4.14Å; A288-F307 HydrophobicContact CB-CE1 4.14Å; Y305-F307 HydrophobicContact CG-CZ 4.39Å; F307-L309 PolarHBondContact O-N 2.77Å; F307-T330 WeakPolarHBondContact O-CA 3.34Å; F307-L331 HydrophobicContact CB-CB 4.36Å; F307-L331 PolarHBondContact N-O 2.81Å; F307-L331 PolarHBondContact O-N 2.86Å; F307-T333 HydrophobicContact CE2-CG2 3.88Å |
| 308 | N | 89.9 | Confident | 89.3 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.064 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 89.5 | 168.8 | -66.5 | -32.9 | 0 | 0 | 0 | 108.6 | L256 N257 R329 T330 | L256-N308 WeakPolarHBondContact CA-O 3.41Å; N257-N308 PolarHBondContact N-O 2.87Å; N257-N308 WeakPolarHBondContact OD1-CB 3.31Å; N308-R329 CarbonylContact C-O 3.54Å; N308-R329 WeakPolarHBondContact CA-O 3.48Å; N308-T330 PolarHBondContact OD1-OG1 2.85Å |
| 309 | L | 92.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 125.8 | 177.6 | 177.2 | 63.2 | 0 | 0 | 0 | 109.8 | W237 F254 I284 F307 H328 R329 L331 | W237-L309 HydrophobicContact CB-CD2 4.36Å; W237-L309 HydrophobicContact CD2-CD2 3.73Å; W237-L309 HydrophobicContact CE3-CD2 3.53Å; W237-L309 HydrophobicContact CG-CD2 4.11Å; W237-L309 HydrophobicContact CZ3-CD2 4.08Å; F254-L309 HydrophobicContact CB-CD1 4.33Å; F254-L309 HydrophobicContact CD2-CD1 4.14Å; I284-L309 HydrophobicContact CD1-CD1 4.35Å; F307-L309 PolarHBondContact O-N 2.77Å; L309-H328 WeakPolarHBondContact O-CA 3.42Å; L309-R329 HydrophobicContact CB-CB 4.4Å; L309-R329 PolarHBondContact N-O 2.82Å; L309-R329 PolarHBondContact O-N 3.29Å; L309-L331 HydrophobicContact CB-CD1 4.2Å; L309-L331 HydrophobicContact CD2-CD1 4.07Å |
| 310 | Y | 91.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118.1 | 170.4 | -175.4 | -130.8 | 0 | 0 | 0 | 109.1 | Y7 F254 G255 L260 W326 F327 H328 | Y7-Y310 HydrophobicContact CE1-CE2 4.16Å; F254-Y310 CarbonylContact C-O 3.49Å; F254-Y310 VanDerWaalsContact CA-O 3.24Å; F254-Y310 WeakPolarHBondContact CA-O 3.47Å; G255-Y310 PolarHBondContact N-O 2.94Å; G255-Y310 PolarHBondContact O-N 3.02Å; L260-Y310 HydrophobicContact CD1-CD1 4.2Å; L260-Y310 HydrophobicContact CD1-CE1 3.68Å; L260-Y310 HydrophobicContact CD2-CD1 3.41Å; L260-Y310 VanDerWaalsContact CD2-CD1 3.41Å; L260-Y310 HydrophobicContact CD2-CE1 3.77Å; L260-Y310 HydrophobicContact CD2-CG 4.14Å; L260-Y310 WeakPolarHBondContact CD2-O 3.48Å; L260-Y310 HydrophobicContact CG-CD1 3.56Å; L260-Y310 HydrophobicContact CG-CE1 3.55Å; Y310-W326 HydrophobicContact CE1-CE3 4.42Å; Y310-W326 HydrophobicContact CE1-CZ3 4.1Å; Y310-W326 AromaticContact CE2-CE3 3.82Å; Y310-W326 HydrophobicContact CE2-CE3 3.82Å; Y310-W326 HydrophobicContact CE2-CZ3 4.31Å; Y310-W326 AromaticContact CZ-CE3 3.6Å; Y310-W326 AromaticContact CZ-CZ3 3.64Å; Y310-W326 VanDerWaalsContact OH-CE3 3.31Å; Y310-W326 VanDerWaalsContact OH-CZ3 3.24Å; Y310-W326 WeakPolarHBondContact OH-CZ3 3.29Å; Y310-F327 WeakPolarHBondContact CA-O 3.44Å; Y310-H328 AromaticContact CD2-CE1 3.17Å; Y310-H328 WeakPolarHBondContact CD2-CE1 3.39Å; Y310-H328 AromaticContact CD2-ND1 3.46Å; Y310-H328 WeakPolarHBondContact CD2-ND1 3.33Å; Y310-H328 AromaticContact CD2-NE2 3.66Å; Y310-H328 AromaticContact CE2-CE1 3.07Å; Y310-H328 WeakPolarHBondContact CE2-CE1 3.44Å; Y310-H328 AromaticContact CE2-ND1 3.85Å; Y310-H328 AromaticContact CE2-NE2 3.26Å; Y310-H328 VanDerWaalsContact CE2-NE2 3.26Å; Y310-H328 WeakPolarHBondContact CE2-NE2 3.42Å |
| 311 | L | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140.9 | -176.5 | -179.9 | 148.6 | 0 | 0 | 0 | 111.5 | W237 I252 F254 I282 Q313 W326 F327 | W237-L311 HydrophobicContact CZ3-CD1 4.1Å; I252-L311 HydrophobicContact CG2-CD1 3.88Å; I252-L311 HydrophobicContact CG2-CD2 4.42Å; I252-L311 HydrophobicContact CG2-CG 4.15Å; F254-L311 HydrophobicContact CB-CB 3.94Å; F254-L311 HydrophobicContact CB-CD1 3.9Å; F254-L311 HydrophobicContact CB-CG 3.97Å; I282-L311 HydrophobicContact CD1-CD1 3.07Å; L311-Q313 HydrophobicContact CD2-CB 3.93Å; L311-W326 CarbonylContact O-C 3.56Å; L311-W326 WeakPolarHBondContact O-CA 3.21Å; L311-F327 HydrophobicContact CB-CB 4.24Å; L311-F327 HydrophobicContact CD2-CD2 3.67Å; L311-F327 HydrophobicContact CD2-CE2 4.35Å; L311-F327 PolarHBondContact N-O 3.38Å; L311-F327 PolarHBondContact O-N 2.89Å |
| 312 | K | 92.6 | Very high | 89.9 | Confident | 60 Ų | 60 | 45.6 Ų | 45.6 | 26% | 0.261 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.2 | 171.4 | -172.4 | -168.9 | -177.4 | -178.3 | 0 | 109.4 | I252 S253 L260 T314 V324 L325 W326 | I252-K312 WeakPolarHBondContact CA-O 3.27Å; S253-K312 PolarHBondContact N-O 3.37Å; S253-K312 PolarHBondContact O-N 2.91Å; S253-K312 WeakPolarHBondContact OG-CB 3.39Å; L260-K312 HydrophobicContact CD1-CB 4.39Å; L260-K312 HydrophobicContact CD2-CB 4.46Å; K312-T314 WeakPolarHBondContact CE-OG1 3.42Å; K312-V324 HydrophobicContact CD-CG1 4.37Å; K312-V324 HydrophobicContact CG-CG1 3.8Å; K312-L325 CarbonylContact C-O 3.55Å; K312-L325 WeakPolarHBondContact CA-O 3.38Å; K312-W326 HydrophobicContact CB-CE3 3.65Å; K312-W326 HydrophobicContact CB-CH2 4.02Å; K312-W326 HydrophobicContact CB-CZ3 3.37Å; K312-W326 HydrophobicContact CD-CH2 3.42Å; K312-W326 VanDerWaalsContact CD-CH2 3.42Å; K312-W326 HydrophobicContact CD-CZ2 3.99Å; K312-W326 HydrophobicContact CD-CZ3 3.72Å; K312-W326 HydrophobicContact CG-CD2 4.24Å; K312-W326 HydrophobicContact CG-CE3 3.79Å; K312-W326 HydrophobicContact CG-CH2 3.58Å; K312-W326 HydrophobicContact CG-CZ2 4Å; K312-W326 HydrophobicContact CG-CZ3 3.45Å; K312-W326 VanDerWaalsContact CG-CZ3 3.45Å |
| 313 | Q | 92.1 | Very high | 90 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 123.1 | 174.8 | -179.8 | 172.7 | -16.9 | 0 | 0 | 108.7 | P240 E241 T250 Q251 L311 V324 L325 | P240-Q313 PolarHBondContact O-NE2 3.23Å; P240-Q313 VanDerWaalsContact O-NE2 3.12Å; E241-Q313 PolarHBondContact O-NE2 3.12Å; T250-Q313 HydrophobicContact CG2-CB 4.48Å; T250-Q313 HydrophobicContact CG2-CG 3.2Å; Q251-Q313 CarbonylContact O-C 3.49Å; Q251-Q313 WeakPolarHBondContact O-CA 3.17Å; L311-Q313 HydrophobicContact CD2-CB 3.93Å; Q313-V324 CarbonylContact O-C 3.57Å; Q313-V324 WeakPolarHBondContact O-CA 3.36Å; Q313-L325 HydrophobicContact CB-CB 4.2Å; Q313-L325 PolarHBondContact N-O 2.86Å; Q313-L325 PolarHBondContact O-N 2.93Å |
| 314 | T | 91.9 | Very high | 90.1 | Very high | 10 Ų | 10 | 45 Ų | 45 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.1 | -178.3 | -60.8 | 0 | 0 | 0 | 0 | 110 | T250 Q251 K312 E322 V324 | T250-T314 WeakPolarHBondContact CG2-O 3.32Å; Q251-T314 PolarHBondContact N-O 3.45Å; Q251-T314 PolarHBondContact O-N 2.83Å; K312-T314 WeakPolarHBondContact CE-OG1 3.42Å; T314-E322 HydrophobicContact CG2-CG 3.48Å; T314-E322 VanDerWaalsContact CG2-CG 3.48Å; T314-E322 WeakPolarHBondContact CG2-OE1 3.2Å; T314-V324 HydrophobicContact CG2-CG2 4.17Å |
| 315 | S | 91.7 | Very high | 90.4 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 150.7 | 173.9 | 58.2 | 0 | 0 | 0 | 0 | 111 | E322 T323 | S315-E322 WeakPolarHBondContact O-CA 3.12Å; S315-T323 PolarHBondContact N-O 2.86Å; S315-T323 PolarHBondContact O-N 2.83Å; S315-T323 PolarHBondContact OG-O 2.79Å |
| 316 | V | 91.4 | Very high | 90.6 | Very high | 56 Ų | 56 | 43.2 Ų | 43.2 | 34% | 0.339 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.9 | 178 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | S246 L247 E321 E322 | S246-V316 CarbonylContact C-O 3.59Å; S246-V316 WeakPolarHBondContact CA-O 3.28Å; L247-V316 PolarHBondContact N-O 3.45Å; V316-E321 WeakPolarHBondContact CA-O 3.48Å; V316-E322 HydrophobicContact CG2-CG 4.49Å |
| 317 | D | 87.6 | Confident | 90.8 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | trans | -87 | -175.3 | -174.9 | 79.1 | -2.6 | 0 | 0 | 0 | 114.1 | P245 R319 H320 E321 | P245-D317 HydrophobicContact CB-CB 4.37Å; D317-R319 PolarHBondContact O-N 2.92Å; D317-R319 VanDerWaalsContact OD1-CA 3.32Å; D317-R319 WeakPolarHBondContact OD1-CA 3.35Å; D317-R319 WeakPolarHBondContact OD1-CB 3.18Å; D317-R319 PolarHBondContact OD1-N 2.99Å; D317-H320 PolarHBondContact O-N 3.4Å; D317-H320 PolarHBondContact OD1-N 3.28Å; D317-H320 VanDerWaalsContact OD1-N 3.13Å; D317-E321 PolarHBondContact N-O 2.85Å; D317-E321 PolarHBondContact OD1-N 3.01Å | ||
| 318 | E | 86.1 | Confident | 91 | Very high | 160 Ų | 160 | 43.1 Ų | 43.1 | 75% | 0.748 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.9 | 177.3 | -68.1 | -171.8 | 170.6 | 0 | 0 | 114.8 | L247 H320 | L247-E318 VanDerWaalsContact CD1-CA 3.42Å; L247-E318 HydrophobicContact CD1-CB 4.26Å; L247-E318 HydrophobicContact CD1-CG 4.12Å; L247-E318 HydrophobicContact CD2-CG 3.93Å; L247-E318 HydrophobicContact CG-CB 4.43Å; L247-E318 HydrophobicContact CG-CG 3.84Å; E318-H320 VanDerWaalsContact C-N 3.27Å; E318-H320 PolarHBondContact O-ND1 2.96Å |
| 319 | R | 85.4 | Confident | 91.1 | Very high | 203 Ų | 203 | 43.7 Ų | 43.7 | 77% | 0.766 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | 6 | 179.3 | -59.5 | 179.9 | -178.8 | -177.5 | 2.6 | 112.1 | D317 E321 | D317-R319 PolarHBondContact O-N 2.92Å; D317-R319 VanDerWaalsContact OD1-CA 3.32Å; D317-R319 WeakPolarHBondContact OD1-CA 3.35Å; D317-R319 WeakPolarHBondContact OD1-CB 3.18Å; D317-R319 PolarHBondContact OD1-N 2.99Å; R319-E321 HydrophobicContact CB-CG 4.21Å; R319-E321 PolarHBondContact O-N 3.48Å |
| 320 | H | 83.9 | Confident | 91 | Very high | 155 Ų | 155 | 46.1 Ų | 46.1 | 72% | 0.718 | 22% | 0.215 | S | C | * | . | trans | 61.4 | 27.1 | -174.2 | -56.1 | 59.2 | 0 | 0 | 0 | 112.3 | D317 E318 | D317-H320 PolarHBondContact O-N 3.4Å; D317-H320 PolarHBondContact OD1-N 3.28Å; D317-H320 VanDerWaalsContact OD1-N 3.13Å; E318-H320 VanDerWaalsContact C-N 3.27Å; E318-H320 PolarHBondContact O-ND1 2.96Å | ||
| 321 | E | 87.5 | Confident | 91 | Very high | 96 Ų | 96 | 46.1 Ų | 46.1 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | trans | -90.2 | 130.2 | 173.5 | -65.7 | -166 | 162.1 | 0 | 0 | 110.4 | V316 D317 R319 | V316-E321 WeakPolarHBondContact CA-O 3.48Å; D317-E321 PolarHBondContact N-O 2.85Å; D317-E321 PolarHBondContact OD1-N 3.01Å; R319-E321 HydrophobicContact CB-CG 4.21Å; R319-E321 PolarHBondContact O-N 3.48Å | ||
| 322 | E | 90.6 | Very high | 90.9 | Very high | 68 Ų | 68 | 49.6 Ų | 49.6 | 32% | 0.318 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 130.5 | 179.9 | -169.5 | -175.5 | -115.2 | 0 | 0 | 110.8 | S102 P103 R104 T314 S315 V316 V324 | S102-E322 VanDerWaalsContact CB-OE2 3.27Å; S102-E322 WeakPolarHBondContact CB-OE2 3.35Å; S102-E322 PolarHBondContact OG-OE2 2.94Å; P103-E322 WeakPolarHBondContact CD-O 3.24Å; R104-E322 PolarHBondContact N-O 2.9Å; T314-E322 HydrophobicContact CG2-CG 3.48Å; T314-E322 VanDerWaalsContact CG2-CG 3.48Å; T314-E322 WeakPolarHBondContact CG2-OE1 3.2Å; S315-E322 WeakPolarHBondContact O-CA 3.12Å; V316-E322 HydrophobicContact CG2-CG 4.49Å; E322-V324 HydrophobicContact CG-CG2 4.05Å |
| 323 | T | 92.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 47 Ų | 47 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.6 | 165.4 | -63.4 | 0 | 0 | 0 | 0 | 109 | R104 Y244 S315 | R104-T323 HydrophobicContact CB-CG2 4.27Å; R104-T323 HydrophobicContact CG-CG2 3.94Å; R104-T323 WeakPolarHBondContact O-CA 2.9Å; Y244-T323 HydrophobicContact CD1-CG2 3.93Å; Y244-T323 HydrophobicContact CD2-CG2 4.2Å; Y244-T323 HydrophobicContact CE1-CG2 4.45Å; Y244-T323 HydrophobicContact CG-CG2 3.79Å; S315-T323 PolarHBondContact N-O 2.86Å; S315-T323 PolarHBondContact O-N 2.83Å; S315-T323 PolarHBondContact OG-O 2.79Å |
| 324 | V | 93.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.6 | 174.9 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | S102 R104 E105 V106 K312 Q313 T314 E322 W326 | S102-V324 WeakPolarHBondContact OG-CG2 3.47Å; R104-V324 PolarHBondContact O-N 3.05Å; E105-V324 CarbonylContact C-O 3.59Å; E105-V324 VanDerWaalsContact CA-O 3.25Å; E105-V324 WeakPolarHBondContact CA-O 3.24Å; E105-V324 HydrophobicContact CG-CB 4.25Å; V106-V324 PolarHBondContact N-O 2.88Å; K312-V324 HydrophobicContact CD-CG1 4.37Å; K312-V324 HydrophobicContact CG-CG1 3.8Å; Q313-V324 CarbonylContact O-C 3.57Å; Q313-V324 WeakPolarHBondContact O-CA 3.36Å; T314-V324 HydrophobicContact CG2-CG2 4.17Å; E322-V324 HydrophobicContact CG-CG2 4.05Å; V324-W326 HydrophobicContact CG1-CD2 4.17Å; V324-W326 HydrophobicContact CG1-CG 4.49Å; V324-W326 HydrophobicContact CG1-CZ2 3.84Å |
| 325 | L | 94.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.8 | 178.2 | 176.1 | 64.7 | 0 | 0 | 0 | 109.4 | V106 L243 Y244 K312 Q313 F327 | V106-L325 HydrophobicContact CB-CD1 3.63Å; V106-L325 HydrophobicContact CG1-CD1 3.49Å; V106-L325 VanDerWaalsContact CG1-CD1 3.49Å; V106-L325 CarbonylContact O-C 3.59Å; V106-L325 WeakPolarHBondContact O-CA 3.49Å; L243-L325 HydrophobicContact CB-CD2 4.38Å; L243-L325 HydrophobicContact CD1-CD2 3.56Å; Y244-L325 HydrophobicContact CD2-CD2 4.26Å; Y244-L325 HydrophobicContact CE2-CD1 4.12Å; Y244-L325 HydrophobicContact CE2-CD2 3.96Å; Y244-L325 HydrophobicContact CE2-CG 4.46Å; K312-L325 CarbonylContact C-O 3.55Å; K312-L325 WeakPolarHBondContact CA-O 3.38Å; Q313-L325 HydrophobicContact CB-CB 4.2Å; Q313-L325 PolarHBondContact N-O 2.86Å; Q313-L325 PolarHBondContact O-N 2.93Å; L325-F327 HydrophobicContact CD1-CE2 4.31Å; L325-F327 HydrophobicContact CD1-CZ 4.28Å; L325-F327 HydrophobicContact CD2-CD2 4.32Å; L325-F327 HydrophobicContact CD2-CE2 3.3Å; L325-F327 HydrophobicContact CD2-CZ 3.5Å; L325-F327 VanDerWaalsContact CD2-CZ 3.5Å; L325-F327 HydrophobicContact CG-CD2 4.08Å; L325-F327 HydrophobicContact CG-CE2 3.51Å; L325-F327 HydrophobicContact CG-CZ 3.91Å |
| 326 | W | 94.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.3 | -179.8 | -60.1 | 103.9 | 0 | 0 | 0 | 109.8 | R6 E105 V106 T107 C108 L260 Y310 L311 K312 V324 | R6-W326 HydrophobicContact CG-CZ2 3.98Å; E105-W326 PolarHBondContact OE2-NE1 3.5Å; V106-W326 PolarHBondContact O-N 3.12Å; T107-W326 HydrophobicContact CG2-CB 4.38Å; C108-W326 WeakPolarHBondContact CB-O 3.4Å; C108-W326 PolarHBondContact N-O 2.95Å; L260-W326 HydrophobicContact CD1-CH2 4.07Å; L260-W326 HydrophobicContact CD1-CZ3 3.59Å; Y310-W326 HydrophobicContact CE1-CE3 4.42Å; Y310-W326 HydrophobicContact CE1-CZ3 4.1Å; Y310-W326 AromaticContact CE2-CE3 3.82Å; Y310-W326 HydrophobicContact CE2-CE3 3.82Å; Y310-W326 HydrophobicContact CE2-CZ3 4.31Å; Y310-W326 AromaticContact CZ-CE3 3.6Å; Y310-W326 AromaticContact CZ-CZ3 3.64Å; Y310-W326 VanDerWaalsContact OH-CE3 3.31Å; Y310-W326 VanDerWaalsContact OH-CZ3 3.24Å; Y310-W326 WeakPolarHBondContact OH-CZ3 3.29Å; L311-W326 CarbonylContact O-C 3.56Å; L311-W326 WeakPolarHBondContact O-CA 3.21Å; K312-W326 HydrophobicContact CB-CE3 3.65Å; K312-W326 HydrophobicContact CB-CH2 4.02Å; K312-W326 HydrophobicContact CB-CZ3 3.37Å; K312-W326 HydrophobicContact CD-CH2 3.42Å; K312-W326 VanDerWaalsContact CD-CH2 3.42Å; K312-W326 HydrophobicContact CD-CZ2 3.99Å; K312-W326 HydrophobicContact CD-CZ3 3.72Å; K312-W326 HydrophobicContact CG-CD2 4.24Å; K312-W326 HydrophobicContact CG-CE3 3.79Å; K312-W326 HydrophobicContact CG-CH2 3.58Å; K312-W326 HydrophobicContact CG-CZ2 4Å; K312-W326 HydrophobicContact CG-CZ3 3.45Å; K312-W326 VanDerWaalsContact CG-CZ3 3.45Å; V324-W326 HydrophobicContact CG1-CD2 4.17Å; V324-W326 HydrophobicContact CG1-CG 4.49Å; V324-W326 HydrophobicContact CG1-CZ2 3.84Å |
| 327 | F | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.9 | 173.4 | -71.4 | -82.2 | 0 | 0 | 0 | 111 | C108 C223 W237 L243 Y310 L311 L325 | C108-F327 HydrophobicContact CB-CD1 3.45Å; C108-F327 VanDerWaalsContact CB-CD1 3.45Å; C108-F327 HydrophobicContact CB-CE1 3.71Å; C108-F327 HydrophobicContact CB-CG 4.28Å; C108-F327 VanDerWaalsContact SG-CE1 3.52Å; C223-F327 HydrophobicContact CB-CE1 4.34Å; W237-F327 HydrophobicContact CH2-CB 4.28Å; W237-F327 HydrophobicContact CH2-CD1 4.1Å; W237-F327 HydrophobicContact CH2-CD2 4.13Å; W237-F327 HydrophobicContact CH2-CE1 4.45Å; W237-F327 HydrophobicContact CH2-CE2 4.42Å; W237-F327 AromaticContact CH2-CG 3.92Å; W237-F327 HydrophobicContact CH2-CG 3.92Å; W237-F327 HydrophobicContact CZ2-CD1 4.24Å; W237-F327 HydrophobicContact CZ2-CG 4.45Å; L243-F327 HydrophobicContact CD1-CZ 3.86Å; Y310-F327 WeakPolarHBondContact CA-O 3.44Å; L311-F327 HydrophobicContact CB-CB 4.24Å; L311-F327 HydrophobicContact CD2-CD2 3.67Å; L311-F327 HydrophobicContact CD2-CE2 4.35Å; L311-F327 PolarHBondContact N-O 3.38Å; L311-F327 PolarHBondContact O-N 2.89Å; L325-F327 HydrophobicContact CD1-CE2 4.31Å; L325-F327 HydrophobicContact CD1-CZ 4.28Å; L325-F327 HydrophobicContact CD2-CD2 4.32Å; L325-F327 HydrophobicContact CD2-CE2 3.3Å; L325-F327 HydrophobicContact CD2-CZ 3.5Å; L325-F327 VanDerWaalsContact CD2-CZ 3.5Å; L325-F327 HydrophobicContact CG-CD2 4.08Å; L325-F327 HydrophobicContact CG-CE2 3.51Å; L325-F327 HydrophobicContact CG-CZ 3.91Å |
| 328 | H | 93.4 | Very high | 90.5 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 5% | 0.051 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.6 | 165.3 | -61.4 | -95.1 | 0 | 0 | 0 | 108.3 | Y7 C108 E109 L309 Y310 | Y7-H328 AromaticContact CD1-CE1 3.93Å; Y7-H328 AromaticContact CE1-CE1 3.48Å; Y7-H328 VanDerWaalsContact CE1-CE1 3.48Å; Y7-H328 WeakPolarHBondContact CE1-CE1 3.45Å; Y7-H328 AromaticContact CZ-CE1 3.91Å; C108-H328 PolarHBondContact O-N 2.82Å; E109-H328 WeakPolarHBondContact OE1-CB 3.37Å; E109-H328 IonicContact OE1-CG 2.75Å; E109-H328 IonicContact OE2-CD2 3.91Å; E109-H328 IonicContact OE2-CG 3.26Å; L309-H328 WeakPolarHBondContact O-CA 3.42Å; Y310-H328 AromaticContact CD2-CE1 3.17Å; Y310-H328 WeakPolarHBondContact CD2-CE1 3.39Å; Y310-H328 AromaticContact CD2-ND1 3.46Å; Y310-H328 WeakPolarHBondContact CD2-ND1 3.33Å; Y310-H328 AromaticContact CD2-NE2 3.66Å; Y310-H328 AromaticContact CE2-CE1 3.07Å; Y310-H328 WeakPolarHBondContact CE2-CE1 3.44Å; Y310-H328 AromaticContact CE2-ND1 3.85Å; Y310-H328 AromaticContact CE2-NE2 3.26Å; Y310-H328 VanDerWaalsContact CE2-NE2 3.26Å; Y310-H328 WeakPolarHBondContact CE2-NE2 3.42Å |
| 329 | R | 92.6 | Very high | 90.4 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.9 | 179.6 | -65.9 | -67.7 | 175.5 | -109.2 | 15.5 | 110 | C108 E109 Y184 S224 W237 N308 L309 L331 | C108-R329 PolarHBondContact O-NH1 3.12Å; E109-R329 PolarHBondContact O-NH1 3.28Å; Y184-R329 PolarHBondContact OH-NH2 2.73Å; S224-R329 PolarHBondContact O-NE 3.47Å; S224-R329 PolarHBondContact O-NH2 2.86Å; W237-R329 HydrophobicContact CZ2-CG 3.95Å; N308-R329 CarbonylContact C-O 3.54Å; N308-R329 WeakPolarHBondContact CA-O 3.48Å; L309-R329 HydrophobicContact CB-CB 4.4Å; L309-R329 PolarHBondContact N-O 2.82Å; L309-R329 PolarHBondContact O-N 3.29Å; R329-L331 HydrophobicContact CB-CD2 4.32Å |
| 330 | T | 90.9 | Very high | 90.7 | Very high | 54 Ų | 54 | 42.3 Ų | 42.3 | 33% | 0.331 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 109.3 | 170.4 | -63.8 | 0 | 0 | 0 | 0 | 107.5 | I306 F307 N308 V332 | I306-T330 HydrophobicContact CG2-CG2 3.71Å; F307-T330 WeakPolarHBondContact O-CA 3.34Å; N308-T330 PolarHBondContact OD1-OG1 2.85Å; T330-V332 HydrophobicContact CG2-CG2 4.43Å |
| 331 | L | 92.1 | Very high | 91 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.9 | -179 | -56.8 | 175 | 0 | 0 | 0 | 108.9 | M235 W237 I284 I306 F307 L309 R329 | M235-L331 HydrophobicContact CE-CB 4.05Å; M235-L331 HydrophobicContact CE-CD2 4.44Å; M235-L331 HydrophobicContact CG-CB 3.92Å; M235-L331 HydrophobicContact CG-CD1 4.25Å; W237-L331 HydrophobicContact CB-CD1 3.7Å; W237-L331 HydrophobicContact CB-CD2 4.35Å; W237-L331 HydrophobicContact CG-CD1 4.11Å; W237-L331 HydrophobicContact CG-CD2 4.15Å; I284-L331 HydrophobicContact CD1-CD1 3.84Å; I306-L331 CarbonylContact C-O 3.6Å; I306-L331 WeakPolarHBondContact CA-O 3.29Å; F307-L331 HydrophobicContact CB-CB 4.36Å; F307-L331 PolarHBondContact N-O 2.81Å; F307-L331 PolarHBondContact O-N 2.86Å; L309-L331 HydrophobicContact CB-CD1 4.2Å; L309-L331 HydrophobicContact CD2-CD1 4.07Å; R329-L331 HydrophobicContact CB-CD2 4.32Å |
| 332 | V | 90.3 | Very high | 91.3 | Very high | 74 Ų | 74 | 36.4 Ų | 36.4 | 45% | 0.448 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 128 | -178.5 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | F304 Y305 I306 T330 | F304-V332 HydrophobicContact CD2-CG1 4.03Å; Y305-V332 WeakPolarHBondContact O-CA 3.44Å; I306-V332 HydrophobicContact CG1-CG1 4.41Å; I306-V332 HydrophobicContact CG1-CG2 4.28Å; I306-V332 HydrophobicContact CG2-CG2 4.37Å; T330-V332 HydrophobicContact CG2-CG2 4.43Å |
| 333 | T | 92.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | trans | -72.6 | 155.8 | 174.7 | 67.3 | 0 | 0 | 0 | 0 | 110.6 | Y230 M235 F304 Y305 F307 | Y230-T333 HydrophobicContact CD2-CG2 3.75Å; Y230-T333 HydrophobicContact CE2-CG2 4.14Å; M235-T333 HydrophobicContact CB-CG2 4.36Å; M235-T333 HydrophobicContact SD-CG2 4.15Å; F304-T333 WeakPolarHBondContact CA-OG1 3.16Å; Y305-T333 PolarHBondContact N-OG1 3.15Å; Y305-T333 PolarHBondContact O-N 2.88Å; F307-T333 HydrophobicContact CE2-CG2 3.88Å | ||
| 334 | P | 91.2 | Very high | 91.7 | Very high | 73 Ų | 73 | 40.8 Ų | 40.8 | 47% | 0.474 | 23% | 0.228 | S | C | . | . | trans | -55.4 | 165.8 | 161.4 | -22 | 33.5 | 0 | 0 | 0 | 111.8 | L336 | P334-L336 WeakPolarHBondContact O-CG 3.32Å; P334-L336 PolarHBondContact O-N 2.79Å | ||
| 335 | L | 90 | Very high | 91.7 | Very high | 90 Ų | 90 | 45 Ų | 45 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | trans | -65.9 | 114.5 | 171.2 | -65.2 | 176.2 | 0 | 0 | 0 | 109.7 | F296 F304 | F296-L335 HydrophobicContact CB-CD2 4.12Å; F296-L335 HydrophobicContact CD1-CD1 3.96Å; F296-L335 HydrophobicContact CD1-CD2 4.02Å; F296-L335 HydrophobicContact CE1-CD1 4.3Å; F296-L335 HydrophobicContact CG-CD2 4.33Å; F304-L335 HydrophobicContact CB-CD2 4.21Å; F304-L335 HydrophobicContact CD1-CD2 3.75Å; F304-L335 HydrophobicContact CG-CD2 4.27Å | ||
| 336 | L | 89.1 | Confident | 91.6 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.2 | 178 | -53.4 | -179.2 | 0 | 0 | 0 | 109.4 | Y230 S302 E303 Y305 P334 S338 | Y230-L336 HydrophobicContact CD1-CD2 3.96Å; Y230-L336 HydrophobicContact CE1-CD1 4.26Å; Y230-L336 HydrophobicContact CE1-CD2 3.5Å; Y230-L336 VanDerWaalsContact CE1-CD2 3.5Å; Y230-L336 HydrophobicContact CE2-CD1 4Å; Y230-L336 HydrophobicContact CE2-CD2 4.49Å; Y230-L336 WeakPolarHBondContact OH-CD1 3.28Å; S302-L336 CarbonylContact C-O 3.45Å; S302-L336 VanDerWaalsContact CA-O 3.23Å; S302-L336 WeakPolarHBondContact CA-O 3.2Å; S302-L336 WeakPolarHBondContact CB-O 3.49Å; E303-L336 PolarHBondContact N-O 2.95Å; E303-L336 WeakPolarHBondContact O-CB 3.37Å; E303-L336 PolarHBondContact O-N 3.02Å; Y305-L336 HydrophobicContact CD2-CD1 4.06Å; Y305-L336 HydrophobicContact CE2-CD1 3.96Å; P334-L336 WeakPolarHBondContact O-CG 3.32Å; P334-L336 PolarHBondContact O-N 2.79Å; L336-S338 PolarHBondContact O-N 3.32Å |
| 337 | S | 88 | Confident | 91.4 | Very high | 87 Ų | 87 | 49 Ų | 49 | 61% | 0.608 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 130.8 | -179.8 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | P339 | S337-P339 WeakPolarHBondContact O-CD 3.32Å |
| 338 | S | 87.1 | Confident | 91 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | trans | -120.6 | 78.6 | 174.3 | -166.9 | 0 | 0 | 0 | 0 | 111 | L301 E303 L336 L340 | L301-S338 CarbonylContact O-C 3.59Å; L301-S338 PolarHBondContact O-N 2.91Å; E303-S338 VanDerWaalsContact CD-CB 3.45Å; E303-S338 VanDerWaalsContact CD-OG 3.3Å; E303-S338 WeakPolarHBondContact OE1-CB 3.23Å; E303-S338 PolarHBondContact OE1-OG 3.2Å; L336-S338 PolarHBondContact O-N 3.32Å; S338-L340 PolarHBondContact O-N 2.93Å | ||
| 339 | P | 85.1 | Confident | 90.6 | Very high | 72 Ų | 72 | 59 Ų | 59 | 47% | 0.468 | 33% | 0.326 | S | S | . | . | trans | -69 | 130.6 | -178.6 | 27.7 | -33.9 | 0 | 0 | 0 | 110.3 | S337 | S337-P339 WeakPolarHBondContact O-CD 3.32Š| ||
| 340 | L | 90.9 | Very high | 90.2 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | trans | -71.3 | 155.2 | 163.3 | -54.3 | -176.2 | 0 | 0 | 0 | 109.2 | L301 S338 L357 K359 V360 L432 Y441 H443 | L301-L340 HydrophobicContact CD2-CD1 4.24Å; L301-L340 HydrophobicContact CD2-CD2 3.72Å; L301-L340 HydrophobicContact CD2-CG 3.91Å; S338-L340 PolarHBondContact O-N 2.93Å; L340-L357 HydrophobicContact CB-CD1 4.1Å; L340-L357 HydrophobicContact CD1-CD1 4.19Å; L340-K359 WeakPolarHBondContact CD2-O 3.33Å; L340-V360 HydrophobicContact CD2-CB 4.42Å; L340-V360 HydrophobicContact CD2-CG2 4.14Å; L340-L432 HydrophobicContact CD1-CD1 3.65Å; L340-L432 HydrophobicContact CD1-CD2 4.23Å; L340-Y441 HydrophobicContact CD1-CD1 4.26Å; L340-Y441 HydrophobicContact CD1-CE1 3.83Å; L340-Y441 HydrophobicContact CG-CE1 4.34Å; L340-H443 HydrophobicContact CD1-CB 4.38Å | ||
| 341 | F | 90.8 | Very high | 90 | Very high | 99 Ų | 99 | 61.9 Ų | 61.9 | 43% | 0.434 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 149.2 | 170.7 | 77 | -91.2 | 0 | 0 | 0 | 110.7 | E343 H356 G358 K359 | F341-E343 HydrophobicContact CE2-CB 4.49Å; F341-H356 AromaticContact CE2-CD2 3.97Å; F341-G358 PolarHBondContact N-O 2.66Å; F341-G358 PolarHBondContact O-N 3.38Å; F341-K359 HydrophobicContact CD1-CB 3.85Å; F341-K359 HydrophobicContact CE1-CB 3.94Å |
| 342 | T | 94.3 | Very high | 90.1 | Very high | 28 Ų | 28 | 63.6 Ų | 63.6 | 17% | 0.172 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.9 | 174.7 | -53.3 | 0 | 0 | 0 | 0 | 109.3 | I355 H356 H443 F445 | T342-I355 HydrophobicContact CG2-CG2 3.26Å; T342-H356 CarbonylContact C-O 3.35Å; T342-H356 VanDerWaalsContact CA-O 3.26Å; T342-H356 WeakPolarHBondContact CA-O 3.26Å; T342-H443 PolarHBondContact OG1-CD2 3.38Å; T342-H443 PolarHBondContact OG1-NE2 2.81Å; T342-F445 HydrophobicContact CG2-CB 4.01Å; T342-F445 HydrophobicContact CG2-CD1 3.6Å; T342-F445 HydrophobicContact CG2-CD2 3.65Å; T342-F445 HydrophobicContact CG2-CE1 3.87Å; T342-F445 HydrophobicContact CG2-CE2 3.93Å; T342-F445 HydrophobicContact CG2-CG 3.47Å; T342-F445 VanDerWaalsContact CG2-CG 3.47Å; T342-F445 HydrophobicContact CG2-CZ 4.03Å |
| 343 | E | 95.1 | Very high | 90.4 | Very high | 96 Ų | 96 | 60.1 Ų | 60.1 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.2 | 177.6 | -172.9 | -179.3 | -149.5 | 0 | 0 | 109.7 | F341 Q345 H356 | F341-E343 HydrophobicContact CE2-CB 4.49Å; E343-Q345 HydrophobicContact CG-CG 4.08Å; E343-Q345 PolarHBondContact OE2-NE2 2.82Å; E343-H356 HydrophobicContact CB-CB 4.35Å; E343-H356 PolarHBondContact N-O 2.99Å; E343-H356 PolarHBondContact O-N 2.91Å |
| 344 | D | 94.9 | Very high | 90.6 | Very high | 77 Ų | 77 | 60.5 Ų | 60.5 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 110.2 | 172.6 | 177.7 | 14.7 | 0 | 0 | 0 | 109.8 | T346 F445 V447 | D344-T346 WeakPolarHBondContact OD1-CB 3.26Å; D344-T346 PolarHBondContact OD1-N 3.46Å; D344-T346 PolarHBondContact OD1-OG1 3.42Å; D344-F445 HydrophobicContact CB-CE1 4.34Å; D344-F445 HydrophobicContact CB-CZ 4.22Å; D344-V447 HydrophobicContact CB-CG2 4.3Å; D344-V447 VanDerWaalsContact CG-CG2 3.41Å; D344-V447 WeakPolarHBondContact OD2-CG2 3.21Å |
| 345 | Q | 93.8 | Very high | 90.8 | Very high | 89 Ų | 89 | 57 Ų | 57 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | trans | -112.8 | 27.6 | 177.3 | -59.2 | 178.5 | -11.9 | 0 | 0 | 110.9 | E343 D347 S354 | E343-Q345 HydrophobicContact CG-CG 4.08Å; E343-Q345 PolarHBondContact OE2-NE2 2.82Å; Q345-D347 PolarHBondContact O-N 2.76Å; Q345-S354 CarbonylContact C-O 3.51Å; Q345-S354 VanDerWaalsContact C-O 3.3Å; Q345-S354 VanDerWaalsContact CA-O 3.3Å; Q345-S354 WeakPolarHBondContact CA-O 3.33Å; Q345-S354 WeakPolarHBondContact CB-O 3.47Å; Q345-S354 PolarHBondContact N-O 3.26Å; Q345-S354 WeakPolarHBondContact O-CB 3.32Å | ||
| 346 | T | 93 | Very high | 91.1 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | trans | -57.1 | 129.7 | -175.1 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | D344 V348 F353 S354 L406 A449 | D344-T346 WeakPolarHBondContact OD1-CB 3.26Å; D344-T346 PolarHBondContact OD1-N 3.46Å; D344-T346 PolarHBondContact OD1-OG1 3.42Å; T346-V348 HydrophobicContact CG2-CG2 4.2Å; T346-F353 HydrophobicContact CG2-CD1 3.69Å; T346-F353 HydrophobicContact CG2-CE1 4.1Å; T346-F353 HydrophobicContact CG2-CG 4.42Å; T346-F353 VanDerWaalsContact OG1-CD1 3.31Å; T346-F353 WeakPolarHBondContact OG1-CD1 3.16Å; T346-S354 PolarHBondContact N-O 2.8Å; T346-L406 HydrophobicContact CG2-CD1 4.35Å; T346-A449 HydrophobicContact CG2-CB 4.12Å | ||
| 347 | D | 90.5 | Very high | 91.5 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 33% | 0.326 | 29% | 0.29 | S | S | . | . | B | Isolated β-bridge | trans | -103.5 | 96.8 | 176.1 | -173 | -20.2 | 0 | 0 | 0 | 108.6 | Q345 D349 N350 G351 T352 | Q345-D347 PolarHBondContact O-N 2.76Å; D347-D349 VanDerWaalsContact C-N 3.3Å; D347-D349 PolarHBondContact OD1-N 2.89Å; D347-D349 VanDerWaalsContact OD1-N 3.16Å; D347-N350 HydrophobicContact CB-CB 4.29Å; D347-N350 PolarHBondContact OD1-N 2.92Å; D347-N350 WeakPolarHBondContact OD2-CB 3.44Å; D347-N350 PolarHBondContact OD2-ND2 2.76Å; D347-G351 PolarHBondContact O-N 3.17Å; D347-G351 VanDerWaalsContact O-N 3.11Å; D347-T352 PolarHBondContact N-O 2.73Å; D347-T352 PolarHBondContact O-N 2.63Å |
| 348 | V | 86.4 | Confident | 91.7 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -33.3 | -178.5 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | T346 G351 A449 M451 | T346-V348 HydrophobicContact CG2-CG2 4.2Å; V348-G351 PolarHBondContact O-N 2.83Å; V348-G351 VanDerWaalsContact O-N 3.15Å; V348-A449 HydrophobicContact CG2-CB 4.25Å; V348-M451 HydrophobicContact CG1-CG 4.28Å |
| 349 | D | 83.6 | Confident | 91.8 | Very high | 161 Ų | 161 | 52.9 Ų | 52.9 | 86% | 0.861 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -40.3 | -177.5 | -67.9 | -31.7 | 0 | 0 | 0 | 111.4 | D347 G351 | D347-D349 VanDerWaalsContact C-N 3.3Å; D347-D349 PolarHBondContact OD1-N 2.89Å; D347-D349 VanDerWaalsContact OD1-N 3.16Å; D349-G351 PolarHBondContact O-N 3.25Å |
| 350 | N | 84.4 | Confident | 92.2 | Very high | 124 Ų | 124 | 49.4 Ų | 49.4 | 66% | 0.663 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.1 | 171.3 | -73.6 | -34.6 | 0 | 0 | 0 | 113.4 | D347 T352 | D347-N350 HydrophobicContact CB-CB 4.29Å; D347-N350 PolarHBondContact OD1-N 2.92Å; D347-N350 WeakPolarHBondContact OD2-CB 3.44Å; D347-N350 PolarHBondContact OD2-ND2 2.76Å; N350-T352 VanDerWaalsContact C-N 3.31Å; N350-T352 PolarHBondContact O-N 3.34Å; N350-T352 PolarHBondContact O-OG1 3.41Å |
| 351 | G | 88.1 | Confident | 92.1 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 35.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D347 V348 D349 L406 | D347-G351 PolarHBondContact O-N 3.17Å; D347-G351 VanDerWaalsContact O-N 3.11Å; V348-G351 PolarHBondContact O-N 2.83Å; V348-G351 VanDerWaalsContact O-N 3.15Å; D349-G351 PolarHBondContact O-N 3.25Å; G351-L406 PolarHBondContact O-N 2.82Å |
| 352 | T | 93.8 | Very high | 92 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 25% | 0.245 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 124.6 | -177.7 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | D347 N350 K403 L406 | D347-T352 PolarHBondContact N-O 2.73Å; D347-T352 PolarHBondContact O-N 2.63Å; N350-T352 VanDerWaalsContact C-N 3.31Å; N350-T352 PolarHBondContact O-N 3.34Å; N350-T352 PolarHBondContact O-OG1 3.41Å; T352-K403 HydrophobicContact CG2-CB 3.86Å; T352-L406 VanDerWaalsContact CA-CD1 3.48Å; T352-L406 VanDerWaalsContact N-CD1 3.26Å |
| 353 | F | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 132.5 | 164.4 | -77.2 | -67 | 0 | 0 | 0 | 108.6 | T346 I355 K403 V404 L406 V411 H424 L426 V447 A449 | T346-F353 HydrophobicContact CG2-CD1 3.69Å; T346-F353 HydrophobicContact CG2-CE1 4.1Å; T346-F353 HydrophobicContact CG2-CG 4.42Å; T346-F353 VanDerWaalsContact OG1-CD1 3.31Å; T346-F353 WeakPolarHBondContact OG1-CD1 3.16Å; F353-I355 HydrophobicContact CB-CD1 3.76Å; F353-K403 CarbonylContact O-C 3.6Å; F353-K403 WeakPolarHBondContact O-CA 3.38Å; F353-V404 HydrophobicContact CB-CB 4.34Å; F353-V404 WeakPolarHBondContact CB-O 3.3Å; F353-V404 PolarHBondContact N-O 2.82Å; F353-V404 PolarHBondContact O-N 2.86Å; F353-L406 HydrophobicContact CB-CD1 4.5Å; F353-L406 HydrophobicContact CD1-CD1 4.42Å; F353-L406 HydrophobicContact CD2-CD1 3.79Å; F353-L406 HydrophobicContact CD2-CG 3.99Å; F353-L406 HydrophobicContact CE2-CD1 4.04Å; F353-L406 HydrophobicContact CE2-CG 3.74Å; F353-L406 HydrophobicContact CG-CD1 3.98Å; F353-L406 HydrophobicContact CZ-CD1 4.42Å; F353-L406 HydrophobicContact CZ-CG 4.11Å; F353-V411 HydrophobicContact CD2-CG2 4.17Å; F353-V411 HydrophobicContact CE2-CG1 3.78Å; F353-V411 HydrophobicContact CE2-CG2 4.01Å; F353-H424 HydrophobicContact CE2-CB 4.09Å; F353-H424 HydrophobicContact CZ-CB 3.81Å; F353-H424 WeakPolarHBondContact CZ-O 3.36Å; F353-L426 HydrophobicContact CB-CD2 4.14Å; F353-L426 HydrophobicContact CD2-CB 4.25Å; F353-L426 HydrophobicContact CD2-CD2 4.03Å; F353-L426 HydrophobicContact CE2-CB 4.12Å; F353-L426 HydrophobicContact CG-CD2 4.1Å; F353-L426 HydrophobicContact CZ-CB 4.41Å; F353-V447 HydrophobicContact CD1-CB 4.46Å; F353-V447 HydrophobicContact CD1-CG1 3.61Å; F353-V447 HydrophobicContact CD1-CG2 3.99Å; F353-V447 HydrophobicContact CE1-CB 4.41Å; F353-V447 HydrophobicContact CE1-CG1 3.75Å; F353-V447 HydrophobicContact CE1-CG2 3.92Å; F353-V447 HydrophobicContact CG-CG1 4.36Å; F353-A449 HydrophobicContact CE1-CB 3.56Å; F353-A449 HydrophobicContact CZ-CB 3.72Å |
| 354 | S | 95.9 | Very high | 91.4 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 109.1 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | Q345 T346 L402 | Q345-S354 CarbonylContact C-O 3.51Å; Q345-S354 VanDerWaalsContact C-O 3.3Å; Q345-S354 VanDerWaalsContact CA-O 3.3Å; Q345-S354 WeakPolarHBondContact CA-O 3.33Å; Q345-S354 WeakPolarHBondContact CB-O 3.47Å; Q345-S354 PolarHBondContact N-O 3.26Å; Q345-S354 WeakPolarHBondContact O-CB 3.32Å; T346-S354 PolarHBondContact N-O 2.8Å; S354-L402 CarbonylContact C-O 3.58Å; S354-L402 WeakPolarHBondContact CA-O 3.47Å |
| 355 | I | 96.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 124.1 | -173.7 | -60.4 | 89.5 | 0 | 0 | 0 | 108.6 | T342 F353 T401 L402 L426 I428 Y430 F445 V447 | T342-I355 HydrophobicContact CG2-CG2 3.26Å; F353-I355 HydrophobicContact CB-CD1 3.76Å; I355-T401 WeakPolarHBondContact O-CA 3.23Å; I355-L402 PolarHBondContact N-O 3.5Å; I355-L402 PolarHBondContact O-N 3.24Å; I355-L426 HydrophobicContact CD1-CD2 4.21Å; I355-I428 HydrophobicContact CB-CD1 4.08Å; I355-I428 HydrophobicContact CD1-CD1 3.61Å; I355-I428 HydrophobicContact CG1-CD1 3.57Å; I355-I428 HydrophobicContact CG2-CD1 4.12Å; I355-Y430 WeakPolarHBondContact CG2-OH 3.44Å; I355-F445 HydrophobicContact CG2-CD1 4.06Å; I355-F445 HydrophobicContact CG2-CE1 4.27Å; I355-V447 HydrophobicContact CD1-CG1 4.22Å; I355-V447 HydrophobicContact CG1-CG1 4.31Å |
| 356 | H | 96.3 | Very high | 91.2 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.6 | 178.7 | -175 | 70.4 | 0 | 0 | 0 | 110.4 | F341 T342 E343 S399 Y400 T401 | F341-H356 AromaticContact CE2-CD2 3.97Å; T342-H356 CarbonylContact C-O 3.35Å; T342-H356 VanDerWaalsContact CA-O 3.26Å; T342-H356 WeakPolarHBondContact CA-O 3.26Å; E343-H356 HydrophobicContact CB-CB 4.35Å; E343-H356 PolarHBondContact N-O 2.99Å; E343-H356 PolarHBondContact O-N 2.91Å; H356-S399 WeakPolarHBondContact CE1-CB 3.49Å; H356-S399 PolarHBondContact CE1-OG 2.63Å; H356-Y400 CarbonylContact C-O 3.6Å; H356-Y400 WeakPolarHBondContact CA-O 3.38Å; H356-T401 PolarHBondContact ND1-OG1 3.46Å; H356-T401 VanDerWaalsContact ND1-OG1 3.14Å |
| 357 | L | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 111.7 | 169.4 | 177 | 65.7 | 0 | 0 | 0 | 108.7 | L340 V360 S399 Y400 Y430 L432 | L340-L357 HydrophobicContact CB-CD1 4.1Å; L340-L357 HydrophobicContact CD1-CD1 4.19Å; L357-V360 HydrophobicContact CD2-CG2 4.14Å; L357-V360 HydrophobicContact CG-CG2 3.98Å; L357-S399 CarbonylContact O-C 3.51Å; L357-S399 WeakPolarHBondContact O-CA 3.5Å; L357-S399 VanDerWaalsContact O-CB 3.28Å; L357-S399 WeakPolarHBondContact O-CB 3.36Å; L357-Y400 HydrophobicContact CD2-CD2 4.22Å; L357-Y400 PolarHBondContact N-O 3.21Å; L357-Y400 PolarHBondContact O-N 2.67Å; L357-Y430 HydrophobicContact CD2-CD1 3.9Å; L357-Y430 HydrophobicContact CD2-CD2 4.16Å; L357-Y430 HydrophobicContact CD2-CE1 4.25Å; L357-Y430 HydrophobicContact CD2-CE2 4.47Å; L357-Y430 HydrophobicContact CD2-CG 3.85Å; L357-L432 HydrophobicContact CD2-CD2 4.41Å |
| 358 | G | 92.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 169.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F341 V360 | F341-G358 PolarHBondContact N-O 2.66Å; F341-G358 PolarHBondContact O-N 3.38Å; G358-V360 VanDerWaalsContact C-N 3.28Å; G358-V360 PolarHBondContact O-N 2.89Å |
| 359 | K | 89.5 | Confident | 92 | Very high | 102 Ų | 102 | 40 Ų | 40 | 44% | 0.443 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.7 | 33.9 | 178.1 | -159 | -175.8 | 167.6 | -165.9 | 0 | 113.3 | L340 F341 P361 | L340-K359 WeakPolarHBondContact CD2-O 3.33Å; F341-K359 HydrophobicContact CD1-CB 3.85Å; F341-K359 HydrophobicContact CE1-CB 3.94Å; K359-P361 WeakPolarHBondContact O-CD 3.5Å |
| 360 | V | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 123.6 | 174.8 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | L340 L357 G358 V364 S397 H398 Y400 L432 | L340-V360 HydrophobicContact CD2-CB 4.42Å; L340-V360 HydrophobicContact CD2-CG2 4.14Å; L357-V360 HydrophobicContact CD2-CG2 4.14Å; L357-V360 HydrophobicContact CG-CG2 3.98Å; G358-V360 VanDerWaalsContact C-N 3.28Å; G358-V360 PolarHBondContact O-N 2.89Å; V360-V364 HydrophobicContact CG1-CB 4.02Å; V360-V364 HydrophobicContact CG1-CG1 3.95Å; V360-S397 CarbonylContact O-C 3.6Å; V360-S397 WeakPolarHBondContact O-CA 3.16Å; V360-S397 WeakPolarHBondContact O-CB 3.5Å; V360-H398 WeakPolarHBondContact CB-O 3.37Å; V360-H398 WeakPolarHBondContact CG1-NE2 3.17Å; V360-H398 PolarHBondContact N-O 3.16Å; V360-H398 PolarHBondContact O-N 3.33Å; V360-Y400 HydrophobicContact CB-CE2 4.32Å; V360-Y400 HydrophobicContact CG1-CE2 4.29Å; V360-Y400 HydrophobicContact CG2-CD2 4.06Å; V360-Y400 HydrophobicContact CG2-CE2 4.05Å; V360-L432 HydrophobicContact CG1-CD2 3.72Å; V360-L432 HydrophobicContact CG2-CD2 4.32Å |
| 361 | P | 90.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.019 | 14% | 0.142 | C | C | . | . | trans | -47.4 | 151.9 | 172.1 | -40.7 | 45.6 | 0 | 0 | 0 | 116.5 | S295 L301 K359 D363 V364 H398 | S295-P361 VanDerWaalsContact OG-CB 3.28Å; S295-P361 WeakPolarHBondContact OG-CB 3.43Å; L301-P361 HydrophobicContact CD2-CG 4.09Å; K359-P361 WeakPolarHBondContact O-CD 3.5Å; P361-D363 VanDerWaalsContact C-N 3.26Å; P361-D363 WeakPolarHBondContact CB-OD1 3.44Å; P361-D363 PolarHBondContact O-N 3.17Å; P361-V364 HydrophobicContact CB-CB 3.84Å; P361-V364 HydrophobicContact CB-CG2 3.51Å; P361-V364 HydrophobicContact CG-CB 4.35Å; P361-V364 HydrophobicContact CG-CG2 3.86Å; P361-V364 PolarHBondContact O-N 3.08Å; P361-H398 PolarHBondContact O-CE1 3.39Å; P361-H398 PolarHBondContact O-ND1 2.9Å | ||
| 362 | R | 86.9 | Confident | 93.5 | Very high | 175 Ų | 175 | 30.6 Ų | 30.6 | 66% | 0.66 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -37.4 | 176.7 | -163.9 | -172.7 | 175.6 | -176.5 | -3.1 | 113.7 | V364 K396 | R362-V364 VanDerWaalsContact C-N 3.34Å; R362-K396 WeakPolarHBondContact CB-O 3.46Å; R362-K396 WeakPolarHBondContact CG-O 3.08Å |
| 363 | D | 86.4 | Confident | 93.3 | Very high | 24 Ų | 24 | 31.3 Ų | 31.3 | 13% | 0.128 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 13 | -174.1 | 61 | -33.1 | 0 | 0 | 0 | 112.9 | R293 K294 S295 P361 V434 K435 | R293-D363 IonicContact CZ-OD1 2.78Å; R293-D363 IonicContact NH1-OD1 3.69Å; R293-D363 PolarHBondContact NH1-OD1 3.11Å; R293-D363 IonicContact NH2-OD1 2.87Å; K294-D363 WeakPolarHBondContact CD-OD2 3.29Å; S295-D363 PolarHBondContact N-OD2 3.22Å; S295-D363 VanDerWaalsContact OG-CG 3.32Å; S295-D363 PolarHBondContact OG-OD1 2.62Å; S295-D363 PolarHBondContact OG-OD2 3.03Å; P361-D363 VanDerWaalsContact C-N 3.26Å; P361-D363 WeakPolarHBondContact CB-OD1 3.44Å; P361-D363 PolarHBondContact O-N 3.17Å; D363-V434 CarbonylContact O-C 3.56Å; D363-V434 WeakPolarHBondContact O-CA 3.43Å; D363-K435 PolarHBondContact O-N 3.34Å |
| 364 | V | 91.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.4 | 176.4 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | L301 V360 P361 R362 H398 L432 I433 V434 | L301-V364 HydrophobicContact CD1-CG2 4.15Å; V360-V364 HydrophobicContact CG1-CB 4.02Å; V360-V364 HydrophobicContact CG1-CG1 3.95Å; P361-V364 HydrophobicContact CB-CB 3.84Å; P361-V364 HydrophobicContact CB-CG2 3.51Å; P361-V364 HydrophobicContact CG-CB 4.35Å; P361-V364 HydrophobicContact CG-CG2 3.86Å; P361-V364 PolarHBondContact O-N 3.08Å; R362-V364 VanDerWaalsContact C-N 3.34Å; V364-H398 PolarHBondContact O-CE1 3.27Å; V364-H398 PolarHBondContact O-NE2 2.83Å; V364-L432 HydrophobicContact CG1-CB 3.65Å; V364-L432 HydrophobicContact CG1-CD2 3.75Å; V364-L432 HydrophobicContact CG1-CG 4.34Å; V364-I433 CarbonylContact C-O 3.49Å; V364-I433 WeakPolarHBondContact CA-O 3.11Å; V364-V434 HydrophobicContact CG2-CG1 4.49Å; V364-V434 HydrophobicContact CG2-CG2 4.03Å |
| 365 | E | 91.3 | Very high | 93.2 | Very high | 94 Ų | 94 | 41.9 Ų | 41.9 | 44% | 0.439 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 138.9 | -178.6 | -67 | -177.7 | 160.9 | 0 | 0 | 110.6 | L432 I433 K435 | E365-L432 CarbonylContact O-C 3.56Å; E365-L432 VanDerWaalsContact O-CA 3.29Å; E365-L432 WeakPolarHBondContact O-CA 3.45Å; E365-I433 PolarHBondContact N-O 3.43Å; E365-I433 PolarHBondContact O-N 3.43Å; E365-K435 HydrophobicContact CG-CG 4.2Å; E365-K435 VanDerWaalsContact OE2-CE 3.27Å; E365-K435 WeakPolarHBondContact OE2-CE 3.2Å |
| 366 | L | 93.9 | Very high | 93.1 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 116.4 | 172 | -179.9 | 68.1 | 0 | 0 | 0 | 109.4 | V369 V378 L388 Y400 Y430 T431 L432 | L366-V369 HydrophobicContact CD1-CG2 4.29Å; L366-V369 HydrophobicContact CD2-CG2 3.93Å; L366-V369 HydrophobicContact CG-CG2 4.31Å; L366-V378 HydrophobicContact CD2-CG2 4.38Å; L366-V378 HydrophobicContact CG-CG2 4.22Å; L366-L388 HydrophobicContact CD2-CD1 4.3Å; L366-L388 HydrophobicContact CD2-CD2 3.87Å; L366-Y400 HydrophobicContact CB-CD1 4.39Å; L366-Y400 HydrophobicContact CB-CD2 4.25Å; L366-Y400 HydrophobicContact CB-CE1 3.88Å; L366-Y400 HydrophobicContact CB-CE2 3.72Å; L366-Y400 HydrophobicContact CD2-CD1 3.78Å; L366-Y400 HydrophobicContact CD2-CD2 4.04Å; L366-Y400 HydrophobicContact CD2-CE1 4.1Å; L366-Y400 HydrophobicContact CD2-CE2 4.34Å; L366-Y400 HydrophobicContact CD2-CG 3.75Å; L366-Y400 PolarHBondContact N-OH 3.41Å; L366-Y430 HydrophobicContact CD1-CD1 3.82Å; L366-Y430 HydrophobicContact CD1-CG 4.29Å; L366-Y430 HydrophobicContact CD2-CD1 4.09Å; L366-T431 WeakPolarHBondContact CD1-O 3.48Å; L366-L432 HydrophobicContact CB-CD2 4.45Å; L366-L432 HydrophobicContact CD1-CD2 4.43Å; L366-L432 HydrophobicContact CD1-CG 4.08Å |
| 367 | T | 94.3 | Very high | 92.9 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -32.3 | -174.7 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | V378 T431 I433 | T367-V378 PolarHBondContact O-N 2.93Å; T367-T431 PolarHBondContact N-O 3.04Å; T367-T431 PolarHBondContact OG1-O 3.48Å; T367-I433 HydrophobicContact CG2-CB 4.15Å; T367-I433 HydrophobicContact CG2-CD1 3.7Å; T367-I433 HydrophobicContact CG2-CG1 3.85Å |
| 368 | S | 94.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 156.2 | 173.8 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | E375 F376 T431 | S368-E375 VanDerWaalsContact CB-OE1 3.32Å; S368-E375 WeakPolarHBondContact CB-OE1 3.32Å; S368-E375 PolarHBondContact OG-OE1 2.8Å; S368-F376 CarbonylContact C-O 3.55Å; S368-F376 WeakPolarHBondContact CA-O 3.5Å; S368-F376 WeakPolarHBondContact CB-O 3.41Å; S368-T431 PolarHBondContact N-O 3.02Å; S368-T431 PolarHBondContact O-N 3.22Å; S368-T431 WeakPolarHBondContact OG-CB 3.3Å; S368-T431 PolarHBondContact OG-OG1 2.81Å |
| 369 | V | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126 | 173.1 | -174.5 | 0 | 0 | 0 | 0 | 107.6 | L366 L371 F376 V378 F380 L388 L402 I428 Y430 | L366-V369 HydrophobicContact CD1-CG2 4.29Å; L366-V369 HydrophobicContact CD2-CG2 3.93Å; L366-V369 HydrophobicContact CG-CG2 4.31Å; V369-L371 HydrophobicContact CG1-CD2 3.76Å; V369-L371 HydrophobicContact CG1-CG 4.28Å; V369-F376 PolarHBondContact N-O 2.85Å; V369-F376 WeakPolarHBondContact O-CB 3.28Å; V369-F376 WeakPolarHBondContact O-CD2 3.45Å; V369-F376 PolarHBondContact O-N 2.88Å; V369-V378 HydrophobicContact CG2-CG2 4.01Å; V369-F380 HydrophobicContact CB-CE1 4.19Å; V369-F380 HydrophobicContact CB-CZ 4.09Å; V369-F380 HydrophobicContact CG2-CE1 4.19Å; V369-F380 HydrophobicContact CG2-CZ 4.09Å; V369-L388 HydrophobicContact CG2-CD2 4.4Å; V369-L402 HydrophobicContact CG1-CD2 4.26Å; V369-I428 HydrophobicContact CG1-CG2 3.92Å; V369-Y430 HydrophobicContact CG1-CD1 4.18Å; V369-Y430 HydrophobicContact CG1-CE1 4.17Å; V369-Y430 HydrophobicContact CG2-CD1 3.93Å; V369-Y430 HydrophobicContact CG2-CE1 4.23Å |
| 370 | Q | 96.4 | Very high | 92.7 | Very high | 63 Ų | 63 | 48.9 Ų | 48.9 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.6 | 173.2 | 177.1 | -176.9 | 52.1 | 0 | 0 | 109.8 | G373 Q374 I428 N429 | Q370-G373 PolarHBondContact NE2-O 2.9Å; Q370-Q374 CarbonylContact C-O 3.5Å; Q370-Q374 VanDerWaalsContact CA-O 3.25Å; Q370-Q374 WeakPolarHBondContact CA-O 3.27Å; Q370-I428 CarbonylContact O-C 3.53Å; Q370-I428 WeakPolarHBondContact O-CA 3.48Å; Q370-N429 HydrophobicContact CB-CB 4.15Å; Q370-N429 PolarHBondContact N-O 2.9Å; Q370-N429 PolarHBondContact O-N 2.85Å; Q370-N429 PolarHBondContact OE1-ND2 3.07Å |
| 371 | L | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.4 | -179.5 | -55.2 | 178.3 | 0 | 0 | 0 | 108.8 | V369 G373 Q374 F376 Y386 L402 V404 I410 L426 D427 I428 | V369-L371 HydrophobicContact CG1-CD2 3.76Å; V369-L371 HydrophobicContact CG1-CG 4.28Å; L371-G373 PolarHBondContact O-N 3.27Å; L371-Q374 PolarHBondContact N-O 2.79Å; L371-Q374 PolarHBondContact O-N 3.48Å; L371-F376 HydrophobicContact CB-CE2 4.07Å; L371-F376 HydrophobicContact CD1-CD2 4.14Å; L371-F376 HydrophobicContact CD1-CE2 3.98Å; L371-F376 HydrophobicContact CG-CD2 4.14Å; L371-F376 HydrophobicContact CG-CE2 4.11Å; L371-Y386 HydrophobicContact CD1-CD2 3.9Å; L371-Y386 HydrophobicContact CD1-CE2 4.05Å; L371-L402 HydrophobicContact CD2-CD2 3.7Å; L371-V404 HydrophobicContact CD1-CG2 4Å; L371-I410 HydrophobicContact CB-CD1 3.57Å; L371-I410 HydrophobicContact CB-CG1 4.12Å; L371-I410 HydrophobicContact CD1-CD1 4.27Å; L371-L426 HydrophobicContact CB-CD1 4.16Å; L371-L426 HydrophobicContact CD2-CD1 4.37Å; L371-D427 CarbonylContact C-O 3.55Å; L371-D427 WeakPolarHBondContact CA-O 3.48Å; L371-I428 HydrophobicContact CD2-CB 4.37Å; L371-I428 HydrophobicContact CD2-CG1 4Å; L371-I428 HydrophobicContact CD2-CG2 3.98Å |
| 372 | N | 95.1 | Very high | 92 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 21% | 0.214 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.7 | 39.8 | -177.6 | -73.7 | -22.6 | 0 | 0 | 0 | 113.7 | I410 I412 K425 D427 | N372-I410 HydrophobicContact CB-CG1 4.5Å; N372-I410 PolarHBondContact ND2-O 2.95Å; N372-I412 HydrophobicContact CB-CD1 4.28Å; N372-K425 PolarHBondContact ND2-O 2.79Å; N372-K425 VanDerWaalsContact ND2-O 3.07Å; N372-D427 PolarHBondContact N-O 2.91Å; N372-D427 WeakPolarHBondContact OD1-CB 3.44Å; N372-D427 PolarHBondContact OD1-N 3.21Å |
| 373 | G | 90.7 | Very high | 91.7 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.8 | -13.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q370 L371 | Q370-G373 PolarHBondContact NE2-O 2.9Å; L371-G373 PolarHBondContact O-N 3.27Å |
| 374 | Q | 94.4 | Very high | 91.6 | Very high | 110 Ų | 110 | 57.8 Ų | 57.8 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127.6 | 177.2 | -176.1 | 175.2 | -15.1 | 0 | 0 | 111.6 | Q370 L371 F376 I410 | Q370-Q374 CarbonylContact C-O 3.5Å; Q370-Q374 VanDerWaalsContact CA-O 3.25Å; Q370-Q374 WeakPolarHBondContact CA-O 3.27Å; L371-Q374 PolarHBondContact N-O 2.79Å; L371-Q374 PolarHBondContact O-N 3.48Å; Q374-F376 HydrophobicContact CB-CE2 4.11Å; Q374-F376 HydrophobicContact CB-CZ 4.29Å; Q374-F376 HydrophobicContact CG-CE1 4.39Å; Q374-F376 HydrophobicContact CG-CE2 3.89Å; Q374-F376 HydrophobicContact CG-CZ 3.67Å; Q374-F376 WeakPolarHBondContact O-CD2 3.46Å; Q374-F376 VanDerWaalsContact O-CE2 3.31Å; Q374-F376 WeakPolarHBondContact O-CE2 3.36Å; Q374-I410 HydrophobicContact CB-CD1 4.16Å |
| 375 | E | 94.1 | Very high | 91.3 | Very high | 127 Ų | 127 | 61.1 Ų | 61.1 | 59% | 0.593 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 139.8 | -176.1 | -173.2 | 172.1 | -160.4 | 0 | 0 | 113.1 | S368 | S368-E375 VanDerWaalsContact CB-OE1 3.32Å; S368-E375 WeakPolarHBondContact CB-OE1 3.32Å; S368-E375 PolarHBondContact OG-OE1 2.8Å |
| 376 | F | 94.6 | Very high | 91.3 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 122.9 | 177.6 | -58.1 | -84.7 | 0 | 0 | 0 | 110.4 | S368 V369 L371 Q374 F380 I384 Y386 I410 | S368-F376 CarbonylContact C-O 3.55Å; S368-F376 WeakPolarHBondContact CA-O 3.5Å; S368-F376 WeakPolarHBondContact CB-O 3.41Å; V369-F376 PolarHBondContact N-O 2.85Å; V369-F376 WeakPolarHBondContact O-CB 3.28Å; V369-F376 WeakPolarHBondContact O-CD2 3.45Å; V369-F376 PolarHBondContact O-N 2.88Å; L371-F376 HydrophobicContact CB-CE2 4.07Å; L371-F376 HydrophobicContact CD1-CD2 4.14Å; L371-F376 HydrophobicContact CD1-CE2 3.98Å; L371-F376 HydrophobicContact CG-CD2 4.14Å; L371-F376 HydrophobicContact CG-CE2 4.11Å; Q374-F376 HydrophobicContact CB-CE2 4.11Å; Q374-F376 HydrophobicContact CB-CZ 4.29Å; Q374-F376 HydrophobicContact CG-CE1 4.39Å; Q374-F376 HydrophobicContact CG-CE2 3.89Å; Q374-F376 HydrophobicContact CG-CZ 3.67Å; Q374-F376 WeakPolarHBondContact O-CD2 3.46Å; Q374-F376 VanDerWaalsContact O-CE2 3.31Å; Q374-F376 WeakPolarHBondContact O-CE2 3.36Å; F376-F380 HydrophobicContact CB-CD1 3.98Å; F376-F380 HydrophobicContact CB-CE1 3.67Å; F376-F380 HydrophobicContact CB-CZ 4.48Å; F376-I384 HydrophobicContact CD1-CD1 3.78Å; F376-I384 HydrophobicContact CE1-CD1 4.34Å; F376-Y386 HydrophobicContact CE1-CD2 4.5Å; F376-Y386 AromaticContact CE1-CE2 3.94Å; F376-Y386 HydrophobicContact CE1-CE2 3.94Å; F376-Y386 HydrophobicContact CE2-CE2 4.12Å; F376-Y386 HydrophobicContact CZ-CD2 4.43Å; F376-Y386 AromaticContact CZ-CE2 3.66Å; F376-Y386 HydrophobicContact CZ-CE2 3.66Å; F376-I410 HydrophobicContact CE2-CD1 3.47Å; F376-I410 VanDerWaalsContact CE2-CD1 3.47Å; F376-I410 HydrophobicContact CZ-CD1 3.54Å |
| 377 | A | 93.4 | Very high | 91.2 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 60% | 0.603 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 146 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P379 F380 | A377-P379 CarbonylContact O-C 3.6Å; A377-P379 VanDerWaalsContact O-O 3.09Å; A377-F380 WeakPolarHBondContact O-CD1 3.49Å |
| 378 | V | 92.1 | Very high | 91.2 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 25% | 0.248 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -102 | 134.3 | 177.7 | 176 | 0 | 0 | 0 | 0 | 109.6 | L366 T367 V369 F380 L388 | L366-V378 HydrophobicContact CD2-CG2 4.38Å; L366-V378 HydrophobicContact CG-CG2 4.22Å; T367-V378 PolarHBondContact O-N 2.93Å; V369-V378 HydrophobicContact CG2-CG2 4.01Å; V378-F380 HydrophobicContact CG2-CD1 4.4Å; V378-F380 HydrophobicContact CG2-CE1 4.03Å; V378-L388 HydrophobicContact CB-CD2 4.28Å; V378-L388 HydrophobicContact CG1-CD2 3.72Å; V378-L388 HydrophobicContact CG2-CD2 3.5Å |
| 379 | P | 90.5 | Very high | 91.2 | Very high | 118 Ų | 118 | 63.7 Ų | 63.7 | 77% | 0.766 | 39% | 0.385 | S | S | * | . | S | Bend | cis | -69.8 | 151.2 | -2.1 | 31.1 | -35.4 | 0 | 0 | 0 | 112.5 | A377 | A377-P379 CarbonylContact O-C 3.6Å; A377-P379 VanDerWaalsContact O-O 3.09Å |
| 380 | F | 90.4 | Very high | 91 | Very high | 28 Ų | 28 | 67.7 Ų | 67.7 | 12% | 0.123 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 143.4 | 176.6 | -63.9 | -19.7 | 0 | 0 | 0 | 111.2 | V369 F376 A377 V378 I384 L388 L402 | V369-F380 HydrophobicContact CB-CE1 4.19Å; V369-F380 HydrophobicContact CB-CZ 4.09Å; V369-F380 HydrophobicContact CG2-CE1 4.19Å; V369-F380 HydrophobicContact CG2-CZ 4.09Å; F376-F380 HydrophobicContact CB-CD1 3.98Å; F376-F380 HydrophobicContact CB-CE1 3.67Å; F376-F380 HydrophobicContact CB-CZ 4.48Å; A377-F380 WeakPolarHBondContact O-CD1 3.49Å; V378-F380 HydrophobicContact CG2-CD1 4.4Å; V378-F380 HydrophobicContact CG2-CE1 4.03Å; F380-I384 HydrophobicContact CB-CD1 4.28Å; F380-L388 HydrophobicContact CD2-CB 3.84Å; F380-L388 HydrophobicContact CE1-CD2 4.32Å; F380-L388 HydrophobicContact CE2-CB 3.61Å; F380-L388 HydrophobicContact CZ-CB 4.09Å; F380-L388 HydrophobicContact CZ-CD2 4.18Å; F380-L402 HydrophobicContact CE2-CD1 3.71Å; F380-L402 HydrophobicContact CZ-CD1 3.98Å |
| 381 | S | 86.1 | Confident | 90.8 | Very high | 67 Ų | 67 | 68 Ų | 68 | 47% | 0.469 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 144.4 | 172.7 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | S383 I384 | S381-S383 PolarHBondContact O-N 3.35Å; S381-S383 PolarHBondContact OG-N 2.78Å; S381-S383 PolarHBondContact OG-OG 2.87Å; S381-I384 WeakPolarHBondContact O-CB 3.25Å; S381-I384 PolarHBondContact O-N 2.9Å |
| 382 | D | 81.7 | Confident | 90.4 | Very high | 174 Ų | 174 | 77.1 Ų | 77.1 | 93% | 0.93 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -18.1 | 176.9 | -63.5 | -33.6 | 0 | 0 | 0 | 113.9 | I384 | D382-I384 VanDerWaalsContact C-N 3.3Š|
| 383 | S | 81.1 | Confident | 89.9 | Confident | 104 Ų | 104 | 79 Ų | 79 | 73% | 0.727 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -11.1 | 176.8 | 62.3 | 0 | 0 | 0 | 0 | 114.2 | S381 | S381-S383 PolarHBondContact O-N 3.35Å; S381-S383 PolarHBondContact OG-N 2.78Å; S381-S383 PolarHBondContact OG-OG 2.87Å |
| 384 | I | 85.1 | Confident | 89.2 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 23% | 0.231 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -93.6 | 136.6 | -174.6 | -58.7 | 169.5 | 0 | 0 | 0 | 109 | F376 F380 S381 D382 Y386 | F376-I384 HydrophobicContact CD1-CD1 3.78Å; F376-I384 HydrophobicContact CE1-CD1 4.34Å; F380-I384 HydrophobicContact CB-CD1 4.28Å; S381-I384 WeakPolarHBondContact O-CB 3.25Å; S381-I384 PolarHBondContact O-N 2.9Å; D382-I384 VanDerWaalsContact C-N 3.3Å; I384-Y386 HydrophobicContact CG2-CD1 4.42Å; I384-Y386 HydrophobicContact CG2-CD2 3.17Å; I384-Y386 HydrophobicContact CG2-CE2 3.61Å; I384-Y386 HydrophobicContact CG2-CG 3.63Å; I384-Y386 PolarHBondContact O-N 3.33Å |
| 385 | A | 84.4 | Confident | 88.1 | Confident | 69 Ų | 69 | 82.8 Ų | 82.8 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -77 | 1.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 386 | Y | 91.8 | Very high | 87.2 | Confident | 26 Ų | 26 | 83.8 Ų | 83.8 | 10% | 0.102 | 48% | 0.476 | C | S | . | . | trans | -100.5 | 146.6 | -173.8 | -41.3 | -36.8 | 0 | 0 | 0 | 109.9 | L371 F376 I384 K403 V404 D408 I410 | L371-Y386 HydrophobicContact CD1-CD2 3.9Å; L371-Y386 HydrophobicContact CD1-CE2 4.05Å; F376-Y386 HydrophobicContact CE1-CD2 4.5Å; F376-Y386 AromaticContact CE1-CE2 3.94Å; F376-Y386 HydrophobicContact CE1-CE2 3.94Å; F376-Y386 HydrophobicContact CE2-CE2 4.12Å; F376-Y386 HydrophobicContact CZ-CD2 4.43Å; F376-Y386 AromaticContact CZ-CE2 3.66Å; F376-Y386 HydrophobicContact CZ-CE2 3.66Å; I384-Y386 HydrophobicContact CG2-CD1 4.42Å; I384-Y386 HydrophobicContact CG2-CD2 3.17Å; I384-Y386 HydrophobicContact CG2-CE2 3.61Å; I384-Y386 HydrophobicContact CG2-CG 3.63Å; I384-Y386 PolarHBondContact O-N 3.33Å; Y386-K403 WeakPolarHBondContact CA-O 3.1Å; Y386-V404 HydrophobicContact CD1-CB 4.47Å; Y386-V404 HydrophobicContact CD1-CG1 3.97Å; Y386-V404 HydrophobicContact CD1-CG2 4.36Å; Y386-V404 HydrophobicContact CE1-CG1 4.01Å; Y386-V404 HydrophobicContact CG-CG2 4.38Å; Y386-D408 HydrophobicContact CE1-CB 4.25Å; Y386-D408 VanDerWaalsContact CE1-CG 3.43Å; Y386-D408 WeakPolarHBondContact CE1-OD1 3.26Å; Y386-D408 WeakPolarHBondContact CE1-OD2 3.43Å; Y386-D408 PolarHBondContact OH-OD1 2.65Å; Y386-I410 HydrophobicContact CE1-CG2 4.29Å; Y386-I410 HydrophobicContact CE2-CD1 4.26Å; Y386-I410 WeakPolarHBondContact OH-CG2 3.25Å | ||
| 387 | T | 91.8 | Very high | 86.7 | Confident | 73 Ų | 73 | 83.7 Ų | 83.7 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.2 | 177.3 | 64.8 | 0 | 0 | 0 | 0 | 110.4 | L402 K403 | T387-L402 CarbonylContact O-C 3.51Å; T387-K403 PolarHBondContact N-O 2.54Å; T387-K403 VanDerWaalsContact N-O 3.15Å; T387-K403 PolarHBondContact O-N 3.38Å; T387-K403 WeakPolarHBondContact OG1-CB 3.4Å |
| 388 | L | 94.3 | Very high | 86.6 | Confident | 38 Ų | 38 | 80.7 Ų | 80.7 | 20% | 0.199 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 117.8 | 171.6 | -175.9 | 70.5 | 0 | 0 | 0 | 108.4 | L366 V369 V378 F380 Y400 T401 L402 | L366-L388 HydrophobicContact CD2-CD1 4.3Å; L366-L388 HydrophobicContact CD2-CD2 3.87Å; V369-L388 HydrophobicContact CG2-CD2 4.4Å; V378-L388 HydrophobicContact CB-CD2 4.28Å; V378-L388 HydrophobicContact CG1-CD2 3.72Å; V378-L388 HydrophobicContact CG2-CD2 3.5Å; F380-L388 HydrophobicContact CD2-CB 3.84Å; F380-L388 HydrophobicContact CE1-CD2 4.32Å; F380-L388 HydrophobicContact CE2-CB 3.61Å; F380-L388 HydrophobicContact CZ-CB 4.09Å; F380-L388 HydrophobicContact CZ-CD2 4.18Å; L388-Y400 HydrophobicContact CG-CD1 4.46Å; L388-T401 WeakPolarHBondContact CA-O 3.23Å; L388-L402 HydrophobicContact CD1-CB 4.1Å; L388-L402 HydrophobicContact CD1-CD1 4.47Å |
| 389 | T | 93.4 | Very high | 86.7 | Confident | 69 Ų | 69 | 78.9 Ų | 78.9 | 42% | 0.423 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124 | 179.6 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | Y400 T401 | T389-Y400 CarbonylContact O-C 3.52Å; T389-Y400 WeakPolarHBondContact O-CA 3.24Å; T389-T401 PolarHBondContact N-O 3.39Å; T389-T401 PolarHBondContact O-N 2.72Å; T389-T401 PolarHBondContact OG1-O 3.15Å |
| 390 | E | 93.6 | Very high | 86.9 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 133.8 | 171.3 | -172.9 | -166.6 | 156.1 | 0 | 0 | 110 | R392 H398 S399 Y400 | E390-R392 IonicContact OE1-CZ 2.75Å; E390-R392 IonicContact OE1-NE 3.38Å; E390-R392 PolarHBondContact OE1-NE 2.98Å; E390-R392 IonicContact OE1-NH2 3.81Å; E390-R392 PolarHBondContact OE1-NH2 2.83Å; E390-R392 IonicContact OE2-NH2 3.61Å; E390-H398 HydrophobicContact CG-CB 4.45Å; E390-S399 CarbonylContact C-O 3.51Å; E390-S399 WeakPolarHBondContact CA-O 3.43Å; E390-Y400 HydrophobicContact CB-CD1 3.99Å; E390-Y400 HydrophobicContact CB-CE1 3.85Å; E390-Y400 HydrophobicContact CG-CD1 4.16Å; E390-Y400 HydrophobicContact CG-CE1 3.68Å |
| 391 | V | 92.4 | Very high | 87.2 | Confident | 69 Ų | 69 | 73.3 Ų | 73.3 | 42% | 0.418 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126 | 171.5 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | H398 S399 | V391-H398 CarbonylContact O-C 3.53Å; V391-H398 WeakPolarHBondContact O-CA 3.47Å; V391-H398 WeakPolarHBondContact O-CB 3.11Å; V391-S399 PolarHBondContact N-O 3.31Å; V391-S399 PolarHBondContact O-N 2.75Å; V391-S399 PolarHBondContact O-OG 3.14Å |
| 392 | R | 88.1 | Confident | 87.7 | Confident | 192 Ų | 192 | 70.1 Ų | 70.1 | 73% | 0.725 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 126.9 | 175.6 | -62.1 | -173.6 | 177.5 | 180 | -0.8 | 110 | E390 H398 | E390-R392 IonicContact OE1-CZ 2.75Å; E390-R392 IonicContact OE1-NE 3.38Å; E390-R392 PolarHBondContact OE1-NE 2.98Å; E390-R392 IonicContact OE1-NH2 3.81Å; E390-R392 PolarHBondContact OE1-NH2 2.83Å; E390-R392 IonicContact OE2-NH2 3.61Å; R392-H398 HydrophobicContact CG-CB 4.08Å |
| 393 | H | 84.3 | Confident | 88.4 | Confident | 81 Ų | 81 | 66.3 Ų | 66.3 | 38% | 0.375 | 36% | 0.358 | S | S | . | . | trans | -93.6 | 159.4 | -177 | -65.8 | -75 | 0 | 0 | 0 | 111.7 | N395 K396 S397 S399 | H393-N395 WeakPolarHBondContact CB-OD1 3.43Å; H393-N395 PolarHBondContact O-N 2.82Å; H393-K396 PolarHBondContact O-N 2.77Å; H393-K396 VanDerWaalsContact O-N 3.11Å; H393-S397 WeakPolarHBondContact CB-O 3.46Å; H393-S397 PolarHBondContact N-O 2.83Å; H393-S399 PolarHBondContact NE2-OG 2.72Å | ||
| 394 | S | 76.4 | Confident | 89.1 | Confident | 133 Ų | 133 | 61.4 Ų | 61.4 | 93% | 0.93 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -26.6 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | K396 | S394-K396 PolarHBondContact O-N 2.83Å; S394-K396 VanDerWaalsContact O-N 3.17Å |
| 395 | N | 71.3 | Confident | 89.5 | Confident | 110 Ų | 110 | 61.3 Ų | 61.3 | 59% | 0.588 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 13.5 | 175 | 70.8 | -4.8 | 0 | 0 | 0 | 113.6 | H393 S397 | H393-N395 WeakPolarHBondContact CB-OD1 3.43Å; H393-N395 PolarHBondContact O-N 2.82Å; N395-S397 VanDerWaalsContact CG-OG 3.29Å; N395-S397 PolarHBondContact ND2-OG 3Å; N395-S397 PolarHBondContact O-N 2.79Å; N395-S397 VanDerWaalsContact O-N 3.08Å; N395-S397 WeakPolarHBondContact OD1-CB 3.32Å; N395-S397 PolarHBondContact OD1-N 2.69Å; N395-S397 PolarHBondContact OD1-OG 2.84Å |
| 396 | K | 73.9 | Confident | 89.8 | Confident | 147 Ų | 147 | 58 Ų | 58 | 64% | 0.639 | 30% | 0.299 | S | S | * | . | S | Bend | trans | 65.6 | 1.1 | -178.5 | -52.9 | 173.1 | -177.5 | 169.5 | 0 | 115 | R362 H393 S394 | R362-K396 WeakPolarHBondContact CB-O 3.46Å; R362-K396 WeakPolarHBondContact CG-O 3.08Å; H393-K396 PolarHBondContact O-N 2.77Å; H393-K396 VanDerWaalsContact O-N 3.11Å; S394-K396 PolarHBondContact O-N 2.83Å; S394-K396 VanDerWaalsContact O-N 3.17Å |
| 397 | S | 85.7 | Confident | 89.5 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 12% | 0.119 | 32% | 0.321 | C | S | . | . | trans | -81 | 166.2 | 166.6 | 74.2 | 0 | 0 | 0 | 0 | 110.7 | V360 H393 N395 | V360-S397 CarbonylContact O-C 3.6Å; V360-S397 WeakPolarHBondContact O-CA 3.16Å; V360-S397 WeakPolarHBondContact O-CB 3.5Å; H393-S397 WeakPolarHBondContact CB-O 3.46Å; H393-S397 PolarHBondContact N-O 2.83Å; N395-S397 VanDerWaalsContact CG-OG 3.29Å; N395-S397 PolarHBondContact ND2-OG 3Å; N395-S397 PolarHBondContact O-N 2.79Å; N395-S397 VanDerWaalsContact O-N 3.08Å; N395-S397 WeakPolarHBondContact OD1-CB 3.32Å; N395-S397 PolarHBondContact OD1-N 2.69Å; N395-S397 PolarHBondContact OD1-OG 2.84Å | ||
| 398 | H | 89.9 | Confident | 89.4 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 5% | 0.046 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 168.4 | 170.5 | 57.2 | -103.8 | 0 | 0 | 0 | 111.1 | V360 P361 V364 E390 V391 R392 Y400 | V360-H398 WeakPolarHBondContact CB-O 3.37Å; V360-H398 WeakPolarHBondContact CG1-NE2 3.17Å; V360-H398 PolarHBondContact N-O 3.16Å; V360-H398 PolarHBondContact O-N 3.33Å; P361-H398 PolarHBondContact O-CE1 3.39Å; P361-H398 PolarHBondContact O-ND1 2.9Å; V364-H398 PolarHBondContact O-CE1 3.27Å; V364-H398 PolarHBondContact O-NE2 2.83Å; E390-H398 HydrophobicContact CG-CB 4.45Å; V391-H398 CarbonylContact O-C 3.53Å; V391-H398 WeakPolarHBondContact O-CA 3.47Å; V391-H398 WeakPolarHBondContact O-CB 3.11Å; R392-H398 HydrophobicContact CG-CB 4.08Å; H398-Y400 AromaticContact CD2-CE2 3.27Å; H398-Y400 WeakPolarHBondContact CD2-CE2 3.44Å; H398-Y400 AromaticContact CD2-CZ 3.49Å; H398-Y400 VanDerWaalsContact CD2-CZ 3.49Å; H398-Y400 PolarHBondContact CD2-OH 2.81Å; H398-Y400 VanDerWaalsContact CD2-OH 3.28Å; H398-Y400 AromaticContact NE2-CE2 3.5Å; H398-Y400 AromaticContact NE2-CZ 3.61Å; H398-Y400 PolarHBondContact NE2-OH 2.96Å |
| 399 | S | 94.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 151.3 | -178.1 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | H356 L357 E390 V391 H393 | H356-S399 WeakPolarHBondContact CE1-CB 3.49Å; H356-S399 PolarHBondContact CE1-OG 2.63Å; L357-S399 CarbonylContact O-C 3.51Å; L357-S399 WeakPolarHBondContact O-CA 3.5Å; L357-S399 VanDerWaalsContact O-CB 3.28Å; L357-S399 WeakPolarHBondContact O-CB 3.36Å; E390-S399 CarbonylContact C-O 3.51Å; E390-S399 WeakPolarHBondContact CA-O 3.43Å; V391-S399 PolarHBondContact N-O 3.31Å; V391-S399 PolarHBondContact O-N 2.75Å; V391-S399 PolarHBondContact O-OG 3.14Å; H393-S399 PolarHBondContact NE2-OG 2.72Å |
| 400 | Y | 95.9 | Very high | 89.2 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.8 | 178.4 | -58.7 | -89.1 | 0 | 0 | 0 | 109.6 | H356 L357 V360 L366 L388 T389 E390 H398 | H356-Y400 CarbonylContact C-O 3.6Å; H356-Y400 WeakPolarHBondContact CA-O 3.38Å; L357-Y400 HydrophobicContact CD2-CD2 4.22Å; L357-Y400 PolarHBondContact N-O 3.21Å; L357-Y400 PolarHBondContact O-N 2.67Å; V360-Y400 HydrophobicContact CB-CE2 4.32Å; V360-Y400 HydrophobicContact CG1-CE2 4.29Å; V360-Y400 HydrophobicContact CG2-CD2 4.06Å; V360-Y400 HydrophobicContact CG2-CE2 4.05Å; L366-Y400 HydrophobicContact CB-CD1 4.39Å; L366-Y400 HydrophobicContact CB-CD2 4.25Å; L366-Y400 HydrophobicContact CB-CE1 3.88Å; L366-Y400 HydrophobicContact CB-CE2 3.72Å; L366-Y400 HydrophobicContact CD2-CD1 3.78Å; L366-Y400 HydrophobicContact CD2-CD2 4.04Å; L366-Y400 HydrophobicContact CD2-CE1 4.1Å; L366-Y400 HydrophobicContact CD2-CE2 4.34Å; L366-Y400 HydrophobicContact CD2-CG 3.75Å; L366-Y400 PolarHBondContact N-OH 3.41Å; L388-Y400 HydrophobicContact CG-CD1 4.46Å; T389-Y400 CarbonylContact O-C 3.52Å; T389-Y400 WeakPolarHBondContact O-CA 3.24Å; E390-Y400 HydrophobicContact CB-CD1 3.99Å; E390-Y400 HydrophobicContact CB-CE1 3.85Å; E390-Y400 HydrophobicContact CG-CD1 4.16Å; E390-Y400 HydrophobicContact CG-CE1 3.68Å; H398-Y400 AromaticContact CD2-CE2 3.27Å; H398-Y400 WeakPolarHBondContact CD2-CE2 3.44Å; H398-Y400 AromaticContact CD2-CZ 3.49Å; H398-Y400 VanDerWaalsContact CD2-CZ 3.49Å; H398-Y400 PolarHBondContact CD2-OH 2.81Å; H398-Y400 VanDerWaalsContact CD2-OH 3.28Å; H398-Y400 AromaticContact NE2-CE2 3.5Å; H398-Y400 AromaticContact NE2-CZ 3.61Å; H398-Y400 PolarHBondContact NE2-OH 2.96Å |
| 401 | T | 96.3 | Very high | 89.2 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 116.1 | 168.9 | -59 | 0 | 0 | 0 | 0 | 108.7 | I355 H356 L388 T389 K403 | I355-T401 WeakPolarHBondContact O-CA 3.23Å; H356-T401 PolarHBondContact ND1-OG1 3.46Å; H356-T401 VanDerWaalsContact ND1-OG1 3.14Å; L388-T401 WeakPolarHBondContact CA-O 3.23Å; T389-T401 PolarHBondContact N-O 3.39Å; T389-T401 PolarHBondContact O-N 2.72Å; T389-T401 PolarHBondContact OG1-O 3.15Å; T401-K403 HydrophobicContact CG2-CG 4.43Å |
| 402 | L | 96.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131 | 175.4 | 171.8 | 67.6 | 0 | 0 | 0 | 109.2 | S354 I355 V369 L371 F380 T387 L388 V404 I428 | S354-L402 CarbonylContact C-O 3.58Å; S354-L402 WeakPolarHBondContact CA-O 3.47Å; I355-L402 PolarHBondContact N-O 3.5Å; I355-L402 PolarHBondContact O-N 3.24Å; V369-L402 HydrophobicContact CG1-CD2 4.26Å; L371-L402 HydrophobicContact CD2-CD2 3.7Å; F380-L402 HydrophobicContact CE2-CD1 3.71Å; F380-L402 HydrophobicContact CZ-CD1 3.98Å; T387-L402 CarbonylContact O-C 3.51Å; L388-L402 HydrophobicContact CD1-CB 4.1Å; L388-L402 HydrophobicContact CD1-CD1 4.47Å; L402-V404 HydrophobicContact CD1-CG2 3.99Å; L402-V404 HydrophobicContact CD2-CG2 4.22Å; L402-V404 HydrophobicContact CG-CG2 3.98Å; L402-I428 HydrophobicContact CD2-CD1 4.07Å; L402-I428 HydrophobicContact CD2-CG1 4.45Å; L402-I428 HydrophobicContact CD2-CG2 4.12Å |
| 403 | K | 95.6 | Very high | 89.2 | Confident | 95 Ų | 95 | 53.2 Ų | 53.2 | 41% | 0.413 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.8 | 170.7 | -54 | -177.4 | 174.1 | -176.4 | 0 | 112.2 | T352 F353 Y386 T387 T401 | T352-K403 HydrophobicContact CG2-CB 3.86Å; F353-K403 CarbonylContact O-C 3.6Å; F353-K403 WeakPolarHBondContact O-CA 3.38Å; Y386-K403 WeakPolarHBondContact CA-O 3.1Å; T387-K403 PolarHBondContact N-O 2.54Å; T387-K403 VanDerWaalsContact N-O 3.15Å; T387-K403 PolarHBondContact O-N 3.38Å; T387-K403 WeakPolarHBondContact OG1-CB 3.4Å; T401-K403 HydrophobicContact CG2-CG 4.43Å |
| 404 | V | 95.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 126.3 | -178.6 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | F353 L371 Y386 L402 I410 V411 L426 | F353-V404 HydrophobicContact CB-CB 4.34Å; F353-V404 WeakPolarHBondContact CB-O 3.3Å; F353-V404 PolarHBondContact N-O 2.82Å; F353-V404 PolarHBondContact O-N 2.86Å; L371-V404 HydrophobicContact CD1-CG2 4Å; Y386-V404 HydrophobicContact CD1-CB 4.47Å; Y386-V404 HydrophobicContact CD1-CG1 3.97Å; Y386-V404 HydrophobicContact CD1-CG2 4.36Å; Y386-V404 HydrophobicContact CE1-CG1 4.01Å; Y386-V404 HydrophobicContact CG-CG2 4.38Å; L402-V404 HydrophobicContact CD1-CG2 3.99Å; L402-V404 HydrophobicContact CD2-CG2 4.22Å; L402-V404 HydrophobicContact CG-CG2 3.98Å; V404-I410 HydrophobicContact CG1-CG2 3.99Å; V404-V411 HydrophobicContact CG1-CG2 4.12Å; V404-L426 HydrophobicContact CB-CD2 4.07Å; V404-L426 HydrophobicContact CG1-CD2 4.4Å; V404-L426 HydrophobicContact CG2-CD2 4.05Å |
| 405 | P | 93.8 | Very high | 89.5 | Confident | 44 Ų | 44 | 50.6 Ų | 50.6 | 29% | 0.286 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 137.9 | 176.4 | -21.8 | 33.2 | 0 | 0 | 0 | 112.6 | H407 D408 V411 | P405-H407 PolarHBondContact O-N 2.82Å; P405-D408 HydrophobicContact CB-CB 4.32Å; P405-D408 VanDerWaalsContact O-CB 3.27Å; P405-D408 WeakPolarHBondContact O-CB 3.36Å; P405-D408 PolarHBondContact O-N 2.92Å; P405-D408 VanDerWaalsContact O-N 3.14Å; P405-V411 WeakPolarHBondContact O-CG2 3.46Å |
| 406 | L | 90.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -26.7 | -178.6 | -93.4 | 76.7 | 0 | 0 | 0 | 113.3 | T346 G351 T352 F353 H424 A449 M451 | T346-L406 HydrophobicContact CG2-CD1 4.35Å; G351-L406 PolarHBondContact O-N 2.82Å; T352-L406 VanDerWaalsContact CA-CD1 3.48Å; T352-L406 VanDerWaalsContact N-CD1 3.26Å; F353-L406 HydrophobicContact CB-CD1 4.5Å; F353-L406 HydrophobicContact CD1-CD1 4.42Å; F353-L406 HydrophobicContact CD2-CD1 3.79Å; F353-L406 HydrophobicContact CD2-CG 3.99Å; F353-L406 HydrophobicContact CE2-CD1 4.04Å; F353-L406 HydrophobicContact CE2-CG 3.74Å; F353-L406 HydrophobicContact CG-CD1 3.98Å; F353-L406 HydrophobicContact CZ-CD1 4.42Å; F353-L406 HydrophobicContact CZ-CG 4.11Å; L406-H424 HydrophobicContact CD2-CB 4.21Å; L406-H424 HydrophobicContact CG-CB 4.31Å; L406-H424 PolarHBondContact O-ND1 3.02Å; L406-A449 HydrophobicContact CD2-CB 3.59Å; L406-A449 HydrophobicContact CG-CB 4.4Å; L406-M451 HydrophobicContact CB-CE 3.78Å; L406-M451 HydrophobicContact CD2-CE 3.39Å; L406-M451 HydrophobicContact CG-CE 4.2Å |
| 407 | H | 85.9 | Confident | 89.8 | Confident | 122 Ų | 122 | 45.6 Ų | 45.6 | 57% | 0.565 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 3.4 | 179.5 | -60.7 | -58.1 | 0 | 0 | 0 | 113.3 | P405 | P405-H407 PolarHBondContact O-N 2.82Š|
| 408 | D | 90.9 | Very high | 89.3 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -65.9 | 143.2 | 177.5 | -167.8 | -91.2 | 0 | 0 | 0 | 111.3 | Y386 P405 I410 V411 | Y386-D408 HydrophobicContact CE1-CB 4.25Å; Y386-D408 VanDerWaalsContact CE1-CG 3.43Å; Y386-D408 WeakPolarHBondContact CE1-OD1 3.26Å; Y386-D408 WeakPolarHBondContact CE1-OD2 3.43Å; Y386-D408 PolarHBondContact OH-OD1 2.65Å; P405-D408 HydrophobicContact CB-CB 4.32Å; P405-D408 VanDerWaalsContact O-CB 3.27Å; P405-D408 WeakPolarHBondContact O-CB 3.36Å; P405-D408 PolarHBondContact O-N 2.92Å; P405-D408 VanDerWaalsContact O-N 3.14Å; D408-I410 HydrophobicContact CB-CG2 4.29Å; D408-I410 PolarHBondContact O-N 3.39Å; D408-I410 VanDerWaalsContact O-N 3.08Å; D408-I410 WeakPolarHBondContact OD1-CB 3.5Å; D408-I410 WeakPolarHBondContact OD1-CG2 3.2Å; D408-I410 PolarHBondContact OD1-N 3.42Å; D408-V411 HydrophobicContact CB-CG2 4.48Å; D408-V411 WeakPolarHBondContact O-CB 3.37Å; D408-V411 PolarHBondContact O-N 2.75Å |
| 409 | P | 89.9 | Confident | 88.4 | Confident | 128 Ų | 128 | 56.3 Ų | 56.3 | 83% | 0.831 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -23.2 | 178.6 | -26.7 | 35.6 | 0 | 0 | 0 | 115 | V411 | P409-V411 VanDerWaalsContact C-N 3.26Å; P409-V411 PolarHBondContact O-N 2.75Å |
| 410 | I | 92.7 | Very high | 87.5 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 9% | 0.087 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -23.3 | 177.6 | -155.1 | 156.6 | 0 | 0 | 0 | 112.8 | L371 N372 Q374 F376 Y386 V404 D408 | L371-I410 HydrophobicContact CB-CD1 3.57Å; L371-I410 HydrophobicContact CB-CG1 4.12Å; L371-I410 HydrophobicContact CD1-CD1 4.27Å; N372-I410 HydrophobicContact CB-CG1 4.5Å; N372-I410 PolarHBondContact ND2-O 2.95Å; Q374-I410 HydrophobicContact CB-CD1 4.16Å; F376-I410 HydrophobicContact CE2-CD1 3.47Å; F376-I410 VanDerWaalsContact CE2-CD1 3.47Å; F376-I410 HydrophobicContact CZ-CD1 3.54Å; Y386-I410 HydrophobicContact CE1-CG2 4.29Å; Y386-I410 HydrophobicContact CE2-CD1 4.26Å; Y386-I410 WeakPolarHBondContact OH-CG2 3.25Å; V404-I410 HydrophobicContact CG1-CG2 3.99Å; D408-I410 HydrophobicContact CB-CG2 4.29Å; D408-I410 PolarHBondContact O-N 3.39Å; D408-I410 VanDerWaalsContact O-N 3.08Å; D408-I410 WeakPolarHBondContact OD1-CB 3.5Å; D408-I410 WeakPolarHBondContact OD1-CG2 3.2Å; D408-I410 PolarHBondContact OD1-N 3.42Å |
| 411 | V | 93.1 | Very high | 86.9 | Confident | 6 Ų | 6 | 59.1 Ų | 59.1 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -80.4 | 123.7 | -178.7 | 175.6 | 0 | 0 | 0 | 0 | 109.5 | F353 V404 P405 D408 P409 Q413 H424 | F353-V411 HydrophobicContact CD2-CG2 4.17Å; F353-V411 HydrophobicContact CE2-CG1 3.78Å; F353-V411 HydrophobicContact CE2-CG2 4.01Å; V404-V411 HydrophobicContact CG1-CG2 4.12Å; P405-V411 WeakPolarHBondContact O-CG2 3.46Å; D408-V411 HydrophobicContact CB-CG2 4.48Å; D408-V411 WeakPolarHBondContact O-CB 3.37Å; D408-V411 PolarHBondContact O-N 2.75Å; P409-V411 VanDerWaalsContact C-N 3.26Å; P409-V411 PolarHBondContact O-N 2.75Å; V411-Q413 PolarHBondContact O-N 2.82Å; V411-H424 HydrophobicContact CG1-CB 3.78Å |
| 412 | I | 91.8 | Very high | 86.4 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 44% | 0.436 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 120.6 | 177.5 | -64.4 | 167.7 | 0 | 0 | 0 | 108.3 | N372 K425 | N372-I412 HydrophobicContact CB-CD1 4.28Å; I412-K425 HydrophobicContact CB-CB 4.34Å; I412-K425 PolarHBondContact N-O 3.02Å; I412-K425 VanDerWaalsContact N-O 3.07Å; I412-K425 PolarHBondContact O-N 3.42Å |
| 413 | Q | 88.3 | Confident | 86.1 | Confident | 65 Ų | 65 | 59.4 Ų | 59.4 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124 | 177 | -54.5 | -177.7 | 1.2 | 0 | 0 | 109.6 | V411 M422 L423 H424 | V411-Q413 PolarHBondContact O-N 2.82Å; Q413-M422 HydrophobicContact CB-CE 3.46Å; Q413-M422 VanDerWaalsContact CB-CE 3.46Å; Q413-M422 HydrophobicContact CB-CG 4.49Å; Q413-L423 CarbonylContact C-O 3.44Å; Q413-L423 WeakPolarHBondContact CA-O 3.38Å; Q413-H424 VanDerWaalsContact CD-CE1 3.46Å; Q413-H424 PolarHBondContact NE2-CE1 2.82Å |
| 414 | E | 85.9 | Confident | 85.9 | Confident | 95 Ų | 95 | 55.1 Ų | 55.1 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 129.1 | -179.4 | -173 | -177.1 | 177.2 | 0 | 0 | 110.8 | L423 K425 | E414-L423 PolarHBondContact N-O 2.85Å; E414-L423 WeakPolarHBondContact O-CB 3.49Å; E414-L423 PolarHBondContact O-N 3.37Å; E414-K425 WeakPolarHBondContact OE2-CE 3.48Å; E414-K425 IonicContact OE2-NZ 3.1Å; E414-K425 PolarHBondContact OE2-NZ 2.87Å |
| 415 | F | 81.6 | Confident | 85.8 | Confident | 64 Ų | 64 | 58.2 Ų | 58.2 | 28% | 0.281 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125.8 | 174.8 | 179.7 | -109.1 | 0 | 0 | 0 | 110.9 | K417 M422 V453 L479 | F415-K417 HydrophobicContact CD1-CG 4.35Å; F415-K417 HydrophobicContact CE1-CG 3.9Å; F415-M422 HydrophobicContact CB-SD 3.9Å; F415-V453 HydrophobicContact CD2-CG2 4.29Å; F415-V453 HydrophobicContact CE2-CB 4.15Å; F415-V453 HydrophobicContact CE2-CG1 4.14Å; F415-V453 HydrophobicContact CE2-CG2 4.28Å; F415-L479 HydrophobicContact CD1-CD1 4.28Å; F415-L479 HydrophobicContact CD1-CD2 4.06Å; F415-L479 HydrophobicContact CD2-CD1 3.62Å; F415-L479 HydrophobicContact CE1-CD1 4.4Å; F415-L479 HydrophobicContact CE1-CD2 4.44Å; F415-L479 HydrophobicContact CE2-CD1 3.78Å; F415-L479 HydrophobicContact CG-CD1 3.89Å; F415-L479 HydrophobicContact CG-CD2 4.23Å; F415-L479 HydrophobicContact CZ-CD1 4.17Å |
| 416 | S | 80.3 | Confident | 86 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115 | 176.8 | 180 | 0 | 0 | 0 | 0 | 110.9 | N419 A420 A421 | S416-N419 PolarHBondContact O-N 3.16Å; S416-N419 PolarHBondContact OG-ND2 2.81Å; S416-A420 WeakPolarHBondContact O-CA 3.18Å; S416-A420 PolarHBondContact O-N 3.09Å; S416-A421 PolarHBondContact N-O 3.14Å; S416-A421 PolarHBondContact O-N 2.69Å |
| 417 | K | 71.3 | Confident | 86.3 | Confident | 134 Ų | 134 | 59.8 Ų | 59.8 | 58% | 0.583 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -43.8 | 176.6 | -69.3 | -175.7 | -177.5 | 179.9 | 0 | 112.3 | F415 N419 A420 E541 | F415-K417 HydrophobicContact CD1-CG 4.35Å; F415-K417 HydrophobicContact CE1-CG 3.9Å; K417-N419 VanDerWaalsContact C-N 3.28Å; K417-N419 PolarHBondContact O-N 2.89Å; K417-A420 PolarHBondContact O-N 2.03Å; K417-E541 IonicContact NZ-OE1 3.61Å; K417-E541 PolarHBondContact NZ-OE1 2.86Å; K417-E541 IonicContact NZ-OE2 3.48Å; K417-E541 PolarHBondContact NZ-OE2 3.11Å |
| 418 | E | 74.8 | Confident | 86.8 | Confident | 188 Ų | 188 | 54.1 Ų | 54.1 | 88% | 0.879 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -38.6 | 179.8 | -66.7 | -179.5 | 172.4 | 0 | 0 | 112.3 | ||
| 419 | N | 71.6 | Confident | 87.1 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -4.6 | -178.8 | -63.3 | -68.6 | 0 | 0 | 0 | 113.3 | S416 K417 A421 R450 | S416-N419 PolarHBondContact O-N 3.16Å; S416-N419 PolarHBondContact OG-ND2 2.81Å; K417-N419 VanDerWaalsContact C-N 3.28Å; K417-N419 PolarHBondContact O-N 2.89Å; N419-A421 HydrophobicContact CB-CB 4.21Å; N419-A421 WeakPolarHBondContact O-CB 3.4Å; N419-A421 PolarHBondContact O-N 2.89Å; N419-A421 VanDerWaalsContact O-N 3.13Å; N419-R450 PolarHBondContact OD1-NH1 2.95Å |
| 420 | A | 76 | Confident | 87.4 | Confident | 65 Ų | 65 | 48.3 Ų | 48.3 | 54% | 0.537 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 39.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | S416 K417 | S416-A420 WeakPolarHBondContact O-CA 3.18Å; S416-A420 PolarHBondContact O-N 3.09Å; K417-A420 PolarHBondContact O-N 2.03Å |
| 421 | A | 82.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 155.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S416 N419 M451 | S416-A421 PolarHBondContact N-O 3.14Å; S416-A421 PolarHBondContact O-N 2.69Å; N419-A421 HydrophobicContact CB-CB 4.21Å; N419-A421 WeakPolarHBondContact O-CB 3.4Å; N419-A421 PolarHBondContact O-N 2.89Å; N419-A421 VanDerWaalsContact O-N 3.13Å; A421-M451 CarbonylContact C-O 3.55Å; A421-M451 WeakPolarHBondContact CA-O 3.48Å; A421-M451 VanDerWaalsContact CB-O 3.29Å; A421-M451 WeakPolarHBondContact CB-O 3.07Å |
| 422 | M | 85.2 | Confident | 87.5 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 120.6 | 169.3 | -157.6 | 71.5 | 179.1 | 0 | 0 | 107.8 | Q413 F415 M451 V453 | Q413-M422 HydrophobicContact CB-CE 3.46Å; Q413-M422 VanDerWaalsContact CB-CE 3.46Å; Q413-M422 HydrophobicContact CB-CG 4.49Å; F415-M422 HydrophobicContact CB-SD 3.9Å; M422-M451 HydrophobicContact CB-CB 4.5Å; M422-M451 PolarHBondContact N-O 3.08Å; M422-M451 PolarHBondContact O-N 3.34Å; M422-V453 HydrophobicContact CB-CG2 3.68Å |
| 423 | L | 90.2 | Very high | 87.6 | Confident | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.8 | 174.6 | -56.7 | -176.6 | 0 | 0 | 0 | 108.6 | Q413 E414 T448 A449 R450 | Q413-L423 CarbonylContact C-O 3.44Å; Q413-L423 WeakPolarHBondContact CA-O 3.38Å; E414-L423 PolarHBondContact N-O 2.85Å; E414-L423 WeakPolarHBondContact O-CB 3.49Å; E414-L423 PolarHBondContact O-N 3.37Å; L423-T448 HydrophobicContact CB-CG2 4.04Å; L423-T448 HydrophobicContact CD2-CG2 4.19Å; L423-A449 WeakPolarHBondContact CA-O 3.38Å; L423-R450 HydrophobicContact CD2-CB 4.48Å; L423-R450 HydrophobicContact CD2-CG 3.8Å |
| 424 | H | 92.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 120.6 | 171.1 | -69.6 | -109.5 | 0 | 0 | 0 | 106.8 | F353 L406 V411 Q413 T448 A449 M451 | F353-H424 HydrophobicContact CE2-CB 4.09Å; F353-H424 HydrophobicContact CZ-CB 3.81Å; F353-H424 WeakPolarHBondContact CZ-O 3.36Å; L406-H424 HydrophobicContact CD2-CB 4.21Å; L406-H424 HydrophobicContact CG-CB 4.31Å; L406-H424 PolarHBondContact O-ND1 3.02Å; V411-H424 HydrophobicContact CG1-CB 3.78Å; Q413-H424 VanDerWaalsContact CD-CE1 3.46Å; Q413-H424 PolarHBondContact NE2-CE1 2.82Å; H424-T448 CarbonylContact O-C 3.58Å; H424-T448 VanDerWaalsContact O-CA 3.24Å; H424-T448 WeakPolarHBondContact O-CA 3.28Å; H424-A449 HydrophobicContact CB-CB 4.33Å; H424-A449 PolarHBondContact N-O 2.73Å; H424-A449 PolarHBondContact O-N 3.36Å; H424-M451 WeakPolarHBondContact CE1-CE 3.11Å; H424-M451 WeakPolarHBondContact NE2-CE 3.17Å |
| 425 | K | 94.3 | Very high | 87.5 | Confident | 65 Ų | 65 | 41.3 Ų | 41.3 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.1 | -174.4 | -64.8 | 179.2 | 176 | 175.4 | 0 | 110.6 | N372 I412 E414 T448 | N372-K425 PolarHBondContact ND2-O 2.79Å; N372-K425 VanDerWaalsContact ND2-O 3.07Å; I412-K425 HydrophobicContact CB-CB 4.34Å; I412-K425 PolarHBondContact N-O 3.02Å; I412-K425 VanDerWaalsContact N-O 3.07Å; I412-K425 PolarHBondContact O-N 3.42Å; E414-K425 WeakPolarHBondContact OE2-CE 3.48Å; E414-K425 IonicContact OE2-NZ 3.1Å; E414-K425 PolarHBondContact OE2-NZ 2.87Å; K425-T448 HydrophobicContact CG-CG2 4.1Å |
| 426 | L | 96.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 111.5 | 176.4 | -176.6 | 68.7 | 0 | 0 | 0 | 109.2 | F353 I355 L371 V404 I428 V447 | F353-L426 HydrophobicContact CB-CD2 4.14Å; F353-L426 HydrophobicContact CD2-CB 4.25Å; F353-L426 HydrophobicContact CD2-CD2 4.03Å; F353-L426 HydrophobicContact CE2-CB 4.12Å; F353-L426 HydrophobicContact CG-CD2 4.1Å; F353-L426 HydrophobicContact CZ-CB 4.41Å; I355-L426 HydrophobicContact CD1-CD2 4.21Å; L371-L426 HydrophobicContact CB-CD1 4.16Å; L371-L426 HydrophobicContact CD2-CD1 4.37Å; V404-L426 HydrophobicContact CB-CD2 4.07Å; V404-L426 HydrophobicContact CG1-CD2 4.4Å; V404-L426 HydrophobicContact CG2-CD2 4.05Å; L426-I428 HydrophobicContact CD2-CD1 4.03Å; L426-I428 HydrophobicContact CD2-CG1 4.07Å; L426-I428 HydrophobicContact CG-CD1 4.3Å; L426-I428 HydrophobicContact CG-CG1 3.87Å; L426-V447 HydrophobicContact CB-CG1 3.82Å; L426-V447 HydrophobicContact CD2-CG1 4.39Å; L426-V447 HydrophobicContact CG-CG1 4.5Å; L426-V447 PolarHBondContact N-O 3.14Å; L426-V447 PolarHBondContact O-N 3.4Å |
| 427 | D | 97 | Very high | 86.3 | Confident | 77 Ų | 77 | 44.1 Ų | 44.1 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129 | 168.7 | -63.3 | -37.1 | 0 | 0 | 0 | 108.8 | L371 N372 S446 | L371-D427 CarbonylContact C-O 3.55Å; L371-D427 WeakPolarHBondContact CA-O 3.48Å; N372-D427 PolarHBondContact N-O 2.91Å; N372-D427 WeakPolarHBondContact OD1-CB 3.44Å; N372-D427 PolarHBondContact OD1-N 3.21Å; D427-S446 WeakPolarHBondContact OD1-CB 3.05Å; D427-S446 PolarHBondContact OD1-OG 2.87Å |
| 428 | I | 97.3 | Very high | 86.4 | Confident | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.6 | -173.8 | -50.9 | 167 | 0 | 0 | 0 | 107.9 | I355 V369 Q370 L371 L402 L426 Y430 T444 F445 V447 | I355-I428 HydrophobicContact CB-CD1 4.08Å; I355-I428 HydrophobicContact CD1-CD1 3.61Å; I355-I428 HydrophobicContact CG1-CD1 3.57Å; I355-I428 HydrophobicContact CG2-CD1 4.12Å; V369-I428 HydrophobicContact CG1-CG2 3.92Å; Q370-I428 CarbonylContact O-C 3.53Å; Q370-I428 WeakPolarHBondContact O-CA 3.48Å; L371-I428 HydrophobicContact CD2-CB 4.37Å; L371-I428 HydrophobicContact CD2-CG1 4Å; L371-I428 HydrophobicContact CD2-CG2 3.98Å; L402-I428 HydrophobicContact CD2-CD1 4.07Å; L402-I428 HydrophobicContact CD2-CG1 4.45Å; L402-I428 HydrophobicContact CD2-CG2 4.12Å; L426-I428 HydrophobicContact CD2-CD1 4.03Å; L426-I428 HydrophobicContact CD2-CG1 4.07Å; L426-I428 HydrophobicContact CG-CD1 4.3Å; L426-I428 HydrophobicContact CG-CG1 3.87Å; I428-Y430 HydrophobicContact CB-CE2 4.36Å; I428-Y430 HydrophobicContact CG2-CD1 4.48Å; I428-Y430 HydrophobicContact CG2-CD2 3.96Å; I428-Y430 HydrophobicContact CG2-CE1 4.05Å; I428-Y430 HydrophobicContact CG2-CE2 3.48Å; I428-Y430 VanDerWaalsContact CG2-CE2 3.48Å; I428-Y430 HydrophobicContact CG2-CG 4.44Å; I428-T444 CarbonylContact O-C 3.57Å; I428-T444 VanDerWaalsContact O-CA 3.29Å; I428-T444 WeakPolarHBondContact O-CA 3.04Å; I428-F445 WeakPolarHBondContact CA-O 3.1Å; I428-F445 WeakPolarHBondContact CB-O 3.07Å; I428-F445 HydrophobicContact CD1-CD1 4.46Å; I428-F445 PolarHBondContact N-O 2.93Å; I428-F445 PolarHBondContact O-N 3.45Å; I428-V447 HydrophobicContact CD1-CG1 4.49Å |
| 429 | N | 96.9 | Very high | 86.7 | Confident | 31 Ų | 31 | 39.8 Ų | 39.8 | 17% | 0.166 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 114.2 | 172.2 | 178.3 | 19.1 | 0 | 0 | 0 | 108.9 | Q370 T444 | Q370-N429 HydrophobicContact CB-CB 4.15Å; Q370-N429 PolarHBondContact N-O 2.9Å; Q370-N429 PolarHBondContact O-N 2.85Å; Q370-N429 PolarHBondContact OE1-ND2 3.07Å; N429-T444 HydrophobicContact CB-CG2 4.13Å |
| 430 | Y | 95.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 128.3 | 179 | -62.9 | -82.4 | 0 | 0 | 0 | 109.8 | I355 L357 L366 V369 I428 Y442 H443 | I355-Y430 WeakPolarHBondContact CG2-OH 3.44Å; L357-Y430 HydrophobicContact CD2-CD1 3.9Å; L357-Y430 HydrophobicContact CD2-CD2 4.16Å; L357-Y430 HydrophobicContact CD2-CE1 4.25Å; L357-Y430 HydrophobicContact CD2-CE2 4.47Å; L357-Y430 HydrophobicContact CD2-CG 3.85Å; L366-Y430 HydrophobicContact CD1-CD1 3.82Å; L366-Y430 HydrophobicContact CD1-CG 4.29Å; L366-Y430 HydrophobicContact CD2-CD1 4.09Å; V369-Y430 HydrophobicContact CG1-CD1 4.18Å; V369-Y430 HydrophobicContact CG1-CE1 4.17Å; V369-Y430 HydrophobicContact CG2-CD1 3.93Å; V369-Y430 HydrophobicContact CG2-CE1 4.23Å; I428-Y430 HydrophobicContact CB-CE2 4.36Å; I428-Y430 HydrophobicContact CG2-CD1 4.48Å; I428-Y430 HydrophobicContact CG2-CD2 3.96Å; I428-Y430 HydrophobicContact CG2-CE1 4.05Å; I428-Y430 HydrophobicContact CG2-CE2 3.48Å; I428-Y430 VanDerWaalsContact CG2-CE2 3.48Å; I428-Y430 HydrophobicContact CG2-CG 4.44Å; Y430-Y442 WeakPolarHBondContact O-CA 3.33Å; Y430-H443 WeakPolarHBondContact CD2-O 3.5Å; Y430-H443 PolarHBondContact N-O 3.47Å; Y430-H443 PolarHBondContact O-N 3.2Å |
| 431 | T | 95.1 | Very high | 88.4 | Confident | 13 Ų | 13 | 38 Ų | 38 | 8% | 0.08 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 109.8 | 174 | -51.3 | 0 | 0 | 0 | 0 | 109.4 | L366 T367 S368 P440 Y442 | L366-T431 WeakPolarHBondContact CD1-O 3.48Å; T367-T431 PolarHBondContact N-O 3.04Å; T367-T431 PolarHBondContact OG1-O 3.48Å; S368-T431 PolarHBondContact N-O 3.02Å; S368-T431 PolarHBondContact O-N 3.22Å; S368-T431 WeakPolarHBondContact OG-CB 3.3Å; S368-T431 PolarHBondContact OG-OG1 2.81Å; T431-P440 HydrophobicContact CG2-CB 4.05Å; T431-Y442 HydrophobicContact CG2-CD1 4.33Å; T431-Y442 HydrophobicContact CG2-CE1 3.85Å |
| 432 | L | 93.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 138.7 | -178.2 | -64.5 | 120.1 | 0 | 0 | 0 | 110.3 | L340 L357 V360 V364 E365 L366 P440 Y441 H443 | L340-L432 HydrophobicContact CD1-CD1 3.65Å; L340-L432 HydrophobicContact CD1-CD2 4.23Å; L357-L432 HydrophobicContact CD2-CD2 4.41Å; V360-L432 HydrophobicContact CG1-CD2 3.72Å; V360-L432 HydrophobicContact CG2-CD2 4.32Å; V364-L432 HydrophobicContact CG1-CB 3.65Å; V364-L432 HydrophobicContact CG1-CD2 3.75Å; V364-L432 HydrophobicContact CG1-CG 4.34Å; E365-L432 CarbonylContact O-C 3.56Å; E365-L432 VanDerWaalsContact O-CA 3.29Å; E365-L432 WeakPolarHBondContact O-CA 3.45Å; L366-L432 HydrophobicContact CB-CD2 4.45Å; L366-L432 HydrophobicContact CD1-CD2 4.43Å; L366-L432 HydrophobicContact CD1-CG 4.08Å; L432-P440 CarbonylContact O-C 3.56Å; L432-P440 WeakPolarHBondContact O-CA 3.34Å; L432-Y441 HydrophobicContact CB-CD1 4.47Å; L432-Y441 HydrophobicContact CD1-CD1 3.94Å; L432-Y441 HydrophobicContact CD1-CE1 4.45Å; L432-Y441 PolarHBondContact N-O 2.89Å; L432-Y441 PolarHBondContact O-N 3.16Å; L432-H443 HydrophobicContact CD1-CB 4.02Å |
| 433 | I | 92 | Very high | 89.3 | Confident | 26 Ų | 26 | 45 Ų | 45 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.9 | -179.7 | -60.2 | -172.3 | 0 | 0 | 0 | 110.2 | V364 E365 T367 G437 | V364-I433 CarbonylContact C-O 3.49Å; V364-I433 WeakPolarHBondContact CA-O 3.11Å; E365-I433 PolarHBondContact N-O 3.43Å; E365-I433 PolarHBondContact O-N 3.43Å; T367-I433 HydrophobicContact CG2-CB 4.15Å; T367-I433 HydrophobicContact CG2-CD1 3.7Å; T367-I433 HydrophobicContact CG2-CG1 3.85Å; I433-G437 WeakPolarHBondContact CG2-O 3.29Å |
| 434 | V | 89.1 | Confident | 89.5 | Confident | 13 Ų | 13 | 49 Ų | 49 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 117.6 | 174.5 | -170.5 | 0 | 0 | 0 | 0 | 110.7 | S295 V297 L301 D363 V364 G437 | S295-V434 WeakPolarHBondContact O-CG1 3.46Å; V297-V434 HydrophobicContact CG2-CG2 3.5Å; V297-V434 VanDerWaalsContact CG2-CG2 3.5Å; L301-V434 HydrophobicContact CD1-CG2 4.34Å; D363-V434 CarbonylContact O-C 3.56Å; D363-V434 WeakPolarHBondContact O-CA 3.43Å; V364-V434 HydrophobicContact CG2-CG1 4.49Å; V364-V434 HydrophobicContact CG2-CG2 4.03Å; V434-G437 CarbonylContact O-C 3.17Å; V434-G437 VanDerWaalsContact O-CA 3.24Å; V434-G437 WeakPolarHBondContact O-CA 2.97Å; V434-G437 PolarHBondContact O-N 2.05Å |
| 435 | K | 83.7 | Confident | 89.6 | Confident | 69 Ų | 69 | 51.4 Ų | 51.4 | 30% | 0.3 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 142.8 | 178.2 | -65.6 | -59.9 | -178.5 | -171 | 0 | 112.5 | K294 D363 E365 D438 | K294-K435 PolarHBondContact NZ-O 2.77Å; D363-K435 PolarHBondContact O-N 3.34Å; E365-K435 HydrophobicContact CG-CG 4.2Å; E365-K435 VanDerWaalsContact OE2-CE 3.27Å; E365-K435 WeakPolarHBondContact OE2-CE 3.2Å; K435-D438 IonicContact NZ-OD1 3.08Å |
| 436 | P | 68.9 | Low | 89.7 | Confident | 102 Ų | 102 | 52.2 Ų | 52.2 | 66% | 0.662 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.3 | 10.5 | 5.3 | 36.8 | -37.2 | 0 | 0 | 0 | 114.9 | K294 | K294-P436 VanDerWaalsContact NZ-CD 3.25Š|
| 437 | G | 68.9 | Low | 89.7 | Confident | 38 Ų | 38 | 52.3 Ų | 52.3 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -76.3 | 178.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I433 V434 | I433-G437 WeakPolarHBondContact CG2-O 3.29Å; V434-G437 CarbonylContact O-C 3.17Å; V434-G437 VanDerWaalsContact O-CA 3.24Å; V434-G437 WeakPolarHBondContact O-CA 2.97Å; V434-G437 PolarHBondContact O-N 2.05Å |
| 438 | D | 72.2 | Confident | 89.5 | Confident | 125 Ų | 125 | 51.9 Ų | 51.9 | 67% | 0.668 | 29% | 0.286 | S | S | * | . | trans | -123.5 | 12.5 | 178.9 | -71.4 | -35.9 | 0 | 0 | 0 | 112.7 | K435 P440 | K435-D438 IonicContact NZ-OD1 3.08Å; D438-P440 VanDerWaalsContact O-CD 3.29Å; D438-P440 WeakPolarHBondContact O-CD 3.02Å | ||
| 439 | E | 81.6 | Confident | 89.2 | Confident | 107 Ų | 107 | 51.9 Ų | 51.9 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | trans | -73.1 | 120.2 | 177.7 | -70.2 | -173.2 | 163.6 | 0 | 0 | 110.7 | V297 | V297-E439 HydrophobicContact CB-CB 4.47Š| ||
| 440 | P | 90.1 | Very high | 88.8 | Confident | 52 Ų | 52 | 58 Ų | 58 | 34% | 0.338 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 137.9 | -180 | 33.5 | -32.4 | 0 | 0 | 0 | 111.4 | T431 L432 D438 Y442 | T431-P440 HydrophobicContact CG2-CB 4.05Å; L432-P440 CarbonylContact O-C 3.56Å; L432-P440 WeakPolarHBondContact O-CA 3.34Å; D438-P440 VanDerWaalsContact O-CD 3.29Å; D438-P440 WeakPolarHBondContact O-CD 3.02Å; P440-Y442 HydrophobicContact CB-CE2 4.15Å; P440-Y442 HydrophobicContact CG-CE2 4.01Å |
| 441 | Y | 92.5 | Very high | 88.2 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.9 | 166.8 | 175.8 | -107.1 | 0 | 0 | 0 | 109.5 | V297 L301 L340 L432 H443 | V297-Y441 HydrophobicContact CG1-CD2 4.49Å; L301-Y441 HydrophobicContact CB-CD1 4.09Å; L301-Y441 HydrophobicContact CB-CD2 4.15Å; L301-Y441 HydrophobicContact CB-CE1 3.97Å; L301-Y441 HydrophobicContact CB-CE2 4.05Å; L301-Y441 HydrophobicContact CB-CG 4.17Å; L301-Y441 HydrophobicContact CD2-CD1 4.41Å; L301-Y441 HydrophobicContact CD2-CE1 4.48Å; L340-Y441 HydrophobicContact CD1-CD1 4.26Å; L340-Y441 HydrophobicContact CD1-CE1 3.83Å; L340-Y441 HydrophobicContact CG-CE1 4.34Å; L432-Y441 HydrophobicContact CB-CD1 4.47Å; L432-Y441 HydrophobicContact CD1-CD1 3.94Å; L432-Y441 HydrophobicContact CD1-CE1 4.45Å; L432-Y441 PolarHBondContact N-O 2.89Å; L432-Y441 PolarHBondContact O-N 3.16Å; Y441-H443 HydrophobicContact CE1-CB 3.98Å |
| 442 | Y | 92.8 | Very high | 87.4 | Confident | 131 Ų | 131 | 63.6 Ų | 63.6 | 51% | 0.514 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.5 | -179.4 | -58.9 | -78.9 | 0 | 0 | 0 | 110.3 | Y430 T431 P440 | Y430-Y442 WeakPolarHBondContact O-CA 3.33Å; T431-Y442 HydrophobicContact CG2-CD1 4.33Å; T431-Y442 HydrophobicContact CG2-CE1 3.85Å; P440-Y442 HydrophobicContact CB-CE2 4.15Å; P440-Y442 HydrophobicContact CG-CE2 4.01Å |
| 443 | H | 93.6 | Very high | 86.6 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 13% | 0.134 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 112.7 | 177 | -174.7 | 79.7 | 0 | 0 | 0 | 110.1 | L340 T342 Y430 L432 Y441 | L340-H443 HydrophobicContact CD1-CB 4.38Å; T342-H443 PolarHBondContact OG1-CD2 3.38Å; T342-H443 PolarHBondContact OG1-NE2 2.81Å; Y430-H443 WeakPolarHBondContact CD2-O 3.5Å; Y430-H443 PolarHBondContact N-O 3.47Å; Y430-H443 PolarHBondContact O-N 3.2Å; L432-H443 HydrophobicContact CD1-CB 4.02Å; Y441-H443 HydrophobicContact CE1-CB 3.98Å |
| 444 | T | 94.7 | Very high | 86 | Confident | 103 Ų | 103 | 66.4 Ų | 66.4 | 63% | 0.632 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 142 | -175 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | I428 N429 | I428-T444 CarbonylContact O-C 3.57Å; I428-T444 VanDerWaalsContact O-CA 3.29Å; I428-T444 WeakPolarHBondContact O-CA 3.04Å; N429-T444 HydrophobicContact CB-CG2 4.13Å |
| 445 | F | 95.9 | Very high | 85.7 | Confident | 54 Ų | 54 | 68.1 Ų | 68.1 | 24% | 0.237 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 139.7 | 175.4 | -171.5 | -104.5 | 0 | 0 | 0 | 110.8 | T342 D344 I355 I428 V447 | T342-F445 HydrophobicContact CG2-CB 4.01Å; T342-F445 HydrophobicContact CG2-CD1 3.6Å; T342-F445 HydrophobicContact CG2-CD2 3.65Å; T342-F445 HydrophobicContact CG2-CE1 3.87Å; T342-F445 HydrophobicContact CG2-CE2 3.93Å; T342-F445 HydrophobicContact CG2-CG 3.47Å; T342-F445 VanDerWaalsContact CG2-CG 3.47Å; T342-F445 HydrophobicContact CG2-CZ 4.03Å; D344-F445 HydrophobicContact CB-CE1 4.34Å; D344-F445 HydrophobicContact CB-CZ 4.22Å; I355-F445 HydrophobicContact CG2-CD1 4.06Å; I355-F445 HydrophobicContact CG2-CE1 4.27Å; I428-F445 WeakPolarHBondContact CA-O 3.1Å; I428-F445 WeakPolarHBondContact CB-O 3.07Å; I428-F445 HydrophobicContact CD1-CD1 4.46Å; I428-F445 PolarHBondContact N-O 2.93Å; I428-F445 PolarHBondContact O-N 3.45Å; F445-V447 HydrophobicContact CD1-CB 4.48Å; F445-V447 HydrophobicContact CE1-CB 4.02Å |
| 446 | S | 95.7 | Very high | 85.8 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 57% | 0.566 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.5 | 177.6 | -63.7 | 0 | 0 | 0 | 0 | 109.7 | D427 | D427-S446 WeakPolarHBondContact OD1-CB 3.05Å; D427-S446 PolarHBondContact OD1-OG 2.87Å |
| 447 | V | 95.3 | Very high | 86.7 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 144.5 | 179 | 63.3 | 0 | 0 | 0 | 0 | 110.8 | D344 F353 I355 L426 I428 F445 | D344-V447 HydrophobicContact CB-CG2 4.3Å; D344-V447 VanDerWaalsContact CG-CG2 3.41Å; D344-V447 WeakPolarHBondContact OD2-CG2 3.21Å; F353-V447 HydrophobicContact CD1-CB 4.46Å; F353-V447 HydrophobicContact CD1-CG1 3.61Å; F353-V447 HydrophobicContact CD1-CG2 3.99Å; F353-V447 HydrophobicContact CE1-CB 4.41Å; F353-V447 HydrophobicContact CE1-CG1 3.75Å; F353-V447 HydrophobicContact CE1-CG2 3.92Å; F353-V447 HydrophobicContact CG-CG1 4.36Å; I355-V447 HydrophobicContact CD1-CG1 4.22Å; I355-V447 HydrophobicContact CG1-CG1 4.31Å; L426-V447 HydrophobicContact CB-CG1 3.82Å; L426-V447 HydrophobicContact CD2-CG1 4.39Å; L426-V447 HydrophobicContact CG-CG1 4.5Å; L426-V447 PolarHBondContact N-O 3.14Å; L426-V447 PolarHBondContact O-N 3.4Å; I428-V447 HydrophobicContact CD1-CG1 4.49Å; F445-V447 HydrophobicContact CD1-CB 4.48Å; F445-V447 HydrophobicContact CE1-CB 4.02Å |
| 448 | T | 93.6 | Very high | 87.8 | Confident | 67 Ų | 67 | 62.8 Ų | 62.8 | 41% | 0.411 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 114.8 | 177.9 | -59 | 0 | 0 | 0 | 0 | 111 | L423 H424 K425 | L423-T448 HydrophobicContact CB-CG2 4.04Å; L423-T448 HydrophobicContact CD2-CG2 4.19Å; H424-T448 CarbonylContact O-C 3.58Å; H424-T448 VanDerWaalsContact O-CA 3.24Å; H424-T448 WeakPolarHBondContact O-CA 3.28Å; K425-T448 HydrophobicContact CG-CG2 4.1Å |
| 449 | A | 91.6 | Very high | 88.7 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 146.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | T346 V348 F353 L406 L423 H424 | T346-A449 HydrophobicContact CG2-CB 4.12Å; V348-A449 HydrophobicContact CG2-CB 4.25Å; F353-A449 HydrophobicContact CE1-CB 3.56Å; F353-A449 HydrophobicContact CZ-CB 3.72Å; L406-A449 HydrophobicContact CD2-CB 3.59Å; L406-A449 HydrophobicContact CG-CB 4.4Å; L423-A449 WeakPolarHBondContact CA-O 3.38Å; H424-A449 HydrophobicContact CB-CB 4.33Å; H424-A449 PolarHBondContact N-O 2.73Å; H424-A449 PolarHBondContact O-N 3.36Å |
| 450 | R | 88.6 | Confident | 89.4 | Confident | 160 Ų | 160 | 58.4 Ų | 58.4 | 60% | 0.604 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122 | -178.2 | -57.2 | -176.2 | -179.6 | -167 | -2.6 | 109.7 | N419 L423 | N419-R450 PolarHBondContact OD1-NH1 2.95Å; L423-R450 HydrophobicContact CD2-CB 4.48Å; L423-R450 HydrophobicContact CD2-CG 3.8Å |
| 451 | M | 83.1 | Confident | 89.6 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.3 | 169.3 | -80.1 | -170 | -126.9 | 0 | 0 | 110.2 | V348 L406 A421 M422 H424 V453 | V348-M451 HydrophobicContact CG1-CG 4.28Å; L406-M451 HydrophobicContact CB-CE 3.78Å; L406-M451 HydrophobicContact CD2-CE 3.39Å; L406-M451 HydrophobicContact CG-CE 4.2Å; A421-M451 CarbonylContact C-O 3.55Å; A421-M451 WeakPolarHBondContact CA-O 3.48Å; A421-M451 VanDerWaalsContact CB-O 3.29Å; A421-M451 WeakPolarHBondContact CB-O 3.07Å; M422-M451 HydrophobicContact CB-CB 4.5Å; M422-M451 PolarHBondContact N-O 3.08Å; M422-M451 PolarHBondContact O-N 3.34Å; H424-M451 WeakPolarHBondContact CE1-CE 3.11Å; H424-M451 WeakPolarHBondContact NE2-CE 3.17Å; M451-V453 PolarHBondContact O-N 3.18Å |
| 452 | A | 77.4 | Confident | 89.7 | Confident | 93 Ų | 93 | 61 Ų | 61 | 77% | 0.769 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 132.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 453 | V | 78 | Confident | 89.6 | Confident | 24 Ų | 24 | 56.9 Ų | 56.9 | 15% | 0.145 | 34% | 0.339 | C | S | . | . | trans | -105.5 | 121.7 | -179.9 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | F415 M422 M451 F476 L479 W480 | F415-V453 HydrophobicContact CD2-CG2 4.29Å; F415-V453 HydrophobicContact CE2-CB 4.15Å; F415-V453 HydrophobicContact CE2-CG1 4.14Å; F415-V453 HydrophobicContact CE2-CG2 4.28Å; M422-V453 HydrophobicContact CB-CG2 3.68Å; M451-V453 PolarHBondContact O-N 3.18Å; V453-F476 HydrophobicContact CG1-CD2 3.71Å; V453-F476 HydrophobicContact CG1-CE2 4.12Å; V453-F476 HydrophobicContact CG1-CG 4.27Å; V453-F476 HydrophobicContact CG2-CG 4.49Å; V453-L479 HydrophobicContact CG1-CD1 3.97Å; V453-W480 HydrophobicContact CG1-CH2 3.44Å; V453-W480 VanDerWaalsContact CG1-CH2 3.44Å; V453-W480 HydrophobicContact CG1-CZ2 3.58Å | ||
| 454 | S | 79 | Confident | 89.3 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 43% | 0.434 | 38% | 0.376 | S | S | . | . | trans | -121.4 | 141.5 | -177 | 62.5 | 0 | 0 | 0 | 0 | 111.9 | R474 W480 | S454-R474 PolarHBondContact O-NH1 2.96Å; S454-R474 PolarHBondContact O-NH2 3.49Å; S454-R474 PolarHBondContact OG-NH1 3.17Å; S454-W480 VanDerWaalsContact C-CZ2 3.41Å; S454-W480 WeakPolarHBondContact O-CH2 3.39Å; S454-W480 VanDerWaalsContact O-CZ2 3.31Å; S454-W480 WeakPolarHBondContact O-CZ2 3.42Å | ||
| 455 | P | 82.6 | Confident | 88.8 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 31% | 0.312 | 37% | 0.373 | S | S | . | . | trans | -53.5 | 137.8 | 175.5 | -25.4 | 33.6 | 0 | 0 | 0 | 111.9 | V537 L546 T547 | P455-V537 HydrophobicContact CB-CG1 4.26Å; P455-L546 HydrophobicContact CG-CB 4.13Å; P455-L546 HydrophobicContact CG-CD1 4.19Å; P455-T547 HydrophobicContact CB-CG2 3.64Å | ||
| 456 | P | 86.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 36% | 0.363 | C | S | . | . | trans | -64.5 | 148.8 | -179.6 | 24 | -35.3 | 0 | 0 | 0 | 111.7 | L471 R474 W480 F482 V537 | P456-L471 HydrophobicContact CB-CD1 3.62Å; P456-L471 HydrophobicContact CB-CD2 4.34Å; P456-R474 VanDerWaalsContact CA-NH2 3.29Å; P456-W480 HydrophobicContact CG-CD2 4.28Å; P456-W480 HydrophobicContact CG-CE3 3.87Å; P456-W480 HydrophobicContact CG-CZ3 4.41Å; P456-F482 HydrophobicContact CB-CE1 4.38Å; P456-F482 HydrophobicContact CG-CE1 3.57Å; P456-F482 HydrophobicContact CG-CZ 3.77Å; P456-V537 HydrophobicContact CG-CG1 4.2Å | ||
| 457 | S | 87.3 | Confident | 88.6 | Confident | 87 Ų | 87 | 57.5 Ų | 57.5 | 61% | 0.608 | 34% | 0.336 | S | S | * | . | trans | -117.9 | 136.1 | 172 | 59.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 458 | F | 91.1 | Very high | 88.6 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 4% | 0.039 | 35% | 0.346 | C | S | . | . | trans | -80.9 | 136.4 | 173.7 | -69.5 | -102.1 | 0 | 0 | 0 | 110.7 | V460 F469 K470 L471 F482 L508 I535 T549 | F458-V460 HydrophobicContact CB-CG2 4.29Å; F458-V460 WeakPolarHBondContact O-CG2 3.45Å; F458-F469 HydrophobicContact CB-CB 4.25Å; F458-F469 HydrophobicContact CB-CD1 4.07Å; F458-F469 HydrophobicContact CD1-CB 3.78Å; F458-F469 HydrophobicContact CG-CB 4.28Å; F458-F469 HydrophobicContact CG-CD1 4.48Å; F458-K470 CarbonylContact C-O 3.55Å; F458-K470 WeakPolarHBondContact CA-O 3.07Å; F458-L471 HydrophobicContact CD1-CB 3.7Å; F458-L471 HydrophobicContact CE1-CB 3.63Å; F458-L471 HydrophobicContact CE1-CD2 4.29Å; F458-L471 HydrophobicContact CG-CB 4.37Å; F458-L471 HydrophobicContact CZ-CB 4.22Å; F458-L471 HydrophobicContact CZ-CD2 4.06Å; F458-F482 AromaticContact CE2-CD1 3.48Å; F458-F482 HydrophobicContact CE2-CD1 3.48Å; F458-F482 VanDerWaalsContact CE2-CD1 3.48Å; F458-F482 AromaticContact CE2-CE1 3.67Å; F458-F482 HydrophobicContact CE2-CE1 3.67Å; F458-F482 HydrophobicContact CE2-CG 4.29Å; F458-F482 AromaticContact CZ-CD1 3.6Å; F458-F482 HydrophobicContact CZ-CD1 3.6Å; F458-F482 AromaticContact CZ-CE1 3.84Å; F458-F482 HydrophobicContact CZ-CE1 3.84Å; F458-F482 AromaticContact CZ-CG 3.99Å; F458-F482 HydrophobicContact CZ-CG 3.99Å; F458-F482 HydrophobicContact CZ-CZ 4.48Å; F458-L508 HydrophobicContact CE1-CD2 3.89Å; F458-L508 HydrophobicContact CZ-CD2 4.12Å; F458-I535 HydrophobicContact CD1-CD1 4.36Å; F458-I535 HydrophobicContact CD2-CD1 4.5Å; F458-I535 HydrophobicContact CD2-CG2 4.39Å; F458-I535 HydrophobicContact CE1-CD1 4.33Å; F458-I535 HydrophobicContact CE2-CD1 4.49Å; F458-I535 HydrophobicContact CE2-CG2 3.84Å; F458-I535 HydrophobicContact CG-CD1 4.45Å; F458-I535 HydrophobicContact CZ-CD1 4.41Å; F458-I535 HydrophobicContact CZ-CG2 4.25Å; F458-T549 HydrophobicContact CB-CG2 4.03Å; F458-T549 PolarHBondContact N-OG1 3.05Å | ||
| 459 | D | 92.9 | Very high | 88.7 | Confident | 111 Ų | 111 | 56.3 Ų | 56.3 | 59% | 0.594 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 128.5 | 161.9 | -68.9 | -38.7 | 0 | 0 | 0 | 108.7 | F469 K470 | D459-F469 WeakPolarHBondContact O-CA 3.34Å; D459-K470 HydrophobicContact CB-CB 4.39Å; D459-K470 PolarHBondContact N-O 2.83Å; D459-K470 PolarHBondContact O-N 2.82Å |
| 460 | V | 94.6 | Very high | 88.8 | Confident | 30 Ų | 30 | 61.2 Ų | 61.2 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128 | -171 | -163 | 0 | 0 | 0 | 0 | 112.8 | F458 I467 D468 F469 T549 K551 | F458-V460 HydrophobicContact CB-CG2 4.29Å; F458-V460 WeakPolarHBondContact O-CG2 3.45Å; V460-I467 HydrophobicContact CG1-CG2 3.3Å; V460-D468 WeakPolarHBondContact CA-O 3.32Å; V460-D468 WeakPolarHBondContact CG1-O 3.07Å; V460-F469 HydrophobicContact CB-CD1 4.28Å; V460-F469 HydrophobicContact CB-CE1 4.34Å; V460-F469 HydrophobicContact CG1-CD1 3.83Å; V460-F469 HydrophobicContact CG1-CE1 3.66Å; V460-F469 HydrophobicContact CG1-CE2 4.41Å; V460-F469 HydrophobicContact CG1-CG 4.27Å; V460-F469 HydrophobicContact CG1-CZ 3.96Å; V460-F469 HydrophobicContact CG2-CD1 3.48Å; V460-F469 VanDerWaalsContact CG2-CD1 3.48Å; V460-F469 HydrophobicContact CG2-CE1 3.65Å; V460-F469 HydrophobicContact CG2-CG 4.42Å; V460-T549 HydrophobicContact CG2-CG2 3.44Å; V460-T549 VanDerWaalsContact CG2-CG2 3.44Å; V460-K551 HydrophobicContact CB-CB 4.31Å; V460-K551 HydrophobicContact CB-CD 4.23Å; V460-K551 HydrophobicContact CB-CG 4.31Å; V460-K551 HydrophobicContact CG1-CB 3.6Å; V460-K551 HydrophobicContact CG1-CD 4.09Å; V460-K551 HydrophobicContact CG1-CG 3.63Å |
| 461 | V | 95.3 | Very high | 89 | Confident | 89 Ų | 89 | 53.9 Ų | 53.9 | 54% | 0.539 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.3 | -179.9 | -177.1 | 0 | 0 | 0 | 0 | 110 | D468 | V461-D468 PolarHBondContact N-O 3.31Å; V461-D468 PolarHBondContact O-N 2.78Å |
| 462 | C | 94.1 | Very high | 89.3 | Confident | 57 Ų | 57 | 55.1 Ų | 55.1 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 129 | 170.7 | -55.8 | 0 | 0 | 0 | 0 | 108.8 | K551 C553 | C462-K551 WeakPolarHBondContact SG-CE 3.46Å; C462-C553 HydrophobicContact CB-CB 3.71Å; C462-C553 WeakPolarHBondContact CB-SG 3.37Å; C462-C553 WeakPolarHBondContact SG-CB 3.49Å; C462-C553 CovalentContact SG-SG 2.02Å; C462-C553 PolarHBondContact SG-SG 2.71Å |
| 463 | T | 91.7 | Very high | 89.6 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 27% | 0.27 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 169.8 | 173.1 | 64.5 | 0 | 0 | 0 | 0 | 110.1 | S465 G466 D468 F555 | T463-S465 PolarHBondContact O-N 2.85Å; T463-G466 PolarHBondContact N-O 2.89Å; T463-G466 PolarHBondContact OG1-N 3.35Å; T463-G466 VanDerWaalsContact OG1-N 3.12Å; T463-G466 PolarHBondContact OG1-O 2.95Å; T463-D468 WeakPolarHBondContact CG2-OD2 3.26Å; T463-F555 WeakPolarHBondContact O-CE1 3.39Å |
| 464 | E | 85.7 | Confident | 89.7 | Confident | 195 Ų | 195 | 57.3 Ų | 57.3 | 91% | 0.911 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -29.6 | 176.5 | -66.5 | -173.6 | 167.2 | 0 | 0 | 112.3 | ||
| 465 | S | 85.3 | Confident | 89.4 | Confident | 84 Ų | 84 | 58 Ų | 58 | 59% | 0.587 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -0.8 | -174.8 | 58.2 | 0 | 0 | 0 | 0 | 114.8 | T463 P513 L514 | T463-S465 PolarHBondContact O-N 2.85Å; S465-P513 CarbonylContact O-C 3.47Å; S465-P513 WeakPolarHBondContact O-CA 3.41Å; S465-L514 PolarHBondContact O-N 3.46Å |
| 466 | G | 91.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.7 | -153.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | T463 V512 F555 | T463-G466 PolarHBondContact N-O 2.89Å; T463-G466 PolarHBondContact OG1-N 3.35Å; T463-G466 VanDerWaalsContact OG1-N 3.12Å; T463-G466 PolarHBondContact OG1-O 2.95Å; G466-V512 CarbonylContact C-O 3.48Å; G466-V512 WeakPolarHBondContact CA-O 3.44Å; G466-F555 WeakPolarHBondContact O-CE1 3.48Å |
| 467 | I | 95.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129.8 | 176.7 | -56 | 177.2 | 0 | 0 | 0 | 109.3 | V460 F469 V512 Y519 F533 K551 C553 F555 | V460-I467 HydrophobicContact CG1-CG2 3.3Å; I467-F469 HydrophobicContact CB-CE2 3.92Å; I467-F469 HydrophobicContact CG2-CD2 3.99Å; I467-F469 HydrophobicContact CG2-CE2 3.38Å; I467-F469 HydrophobicContact CG2-CZ 3.68Å; I467-V512 PolarHBondContact N-O 3.11Å; I467-V512 WeakPolarHBondContact O-CB 3.48Å; I467-V512 PolarHBondContact O-N 3.3Å; I467-Y519 HydrophobicContact CD1-CE1 3.75Å; I467-Y519 HydrophobicContact CG1-CE1 4.19Å; I467-Y519 VanDerWaalsContact CG1-OH 3.31Å; I467-Y519 WeakPolarHBondContact CG1-OH 3.41Å; I467-Y519 PolarHBondContact N-OH 3.02Å; I467-F533 HydrophobicContact CD1-CB 4Å; I467-K551 HydrophobicContact CD1-CB 4.45Å; I467-K551 HydrophobicContact CD1-CG 4.5Å; I467-K551 HydrophobicContact CG2-CB 4.37Å; I467-K551 HydrophobicContact CG2-CG 4.33Å; I467-C553 HydrophobicContact CD1-CB 4.35Å; I467-C553 HydrophobicContact CG1-CB 4.42Å; I467-C553 VanDerWaalsContact CG1-SG 3.59Å; I467-F555 HydrophobicContact CG1-CZ 4.01Å |
| 468 | D | 95.3 | Very high | 88.6 | Confident | 44 Ų | 44 | 59 Ų | 59 | 24% | 0.235 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.9 | 174.9 | -67.7 | -24.6 | 0 | 0 | 0 | 110.4 | V460 V461 T463 L509 S511 | V460-D468 WeakPolarHBondContact CA-O 3.32Å; V460-D468 WeakPolarHBondContact CG1-O 3.07Å; V461-D468 PolarHBondContact N-O 3.31Å; V461-D468 PolarHBondContact O-N 2.78Å; T463-D468 WeakPolarHBondContact CG2-OD2 3.26Å; D468-L509 HydrophobicContact CB-CD1 4.47Å; D468-S511 VanDerWaalsContact OD1-CA 3.24Å; D468-S511 WeakPolarHBondContact OD1-CA 3.3Å; D468-S511 WeakPolarHBondContact OD1-CB 3.45Å; D468-S511 PolarHBondContact OD1-OG 3.13Å |
| 469 | F | 95.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.7 | 175.7 | -65 | -98.3 | 0 | 0 | 0 | 109.1 | F458 D459 V460 I467 L509 L510 V512 F533 I535 T549 K551 | F458-F469 HydrophobicContact CB-CB 4.25Å; F458-F469 HydrophobicContact CB-CD1 4.07Å; F458-F469 HydrophobicContact CD1-CB 3.78Å; F458-F469 HydrophobicContact CG-CB 4.28Å; F458-F469 HydrophobicContact CG-CD1 4.48Å; D459-F469 WeakPolarHBondContact O-CA 3.34Å; V460-F469 HydrophobicContact CB-CD1 4.28Å; V460-F469 HydrophobicContact CB-CE1 4.34Å; V460-F469 HydrophobicContact CG1-CD1 3.83Å; V460-F469 HydrophobicContact CG1-CE1 3.66Å; V460-F469 HydrophobicContact CG1-CE2 4.41Å; V460-F469 HydrophobicContact CG1-CG 4.27Å; V460-F469 HydrophobicContact CG1-CZ 3.96Å; V460-F469 HydrophobicContact CG2-CD1 3.48Å; V460-F469 VanDerWaalsContact CG2-CD1 3.48Å; V460-F469 HydrophobicContact CG2-CE1 3.65Å; V460-F469 HydrophobicContact CG2-CG 4.42Å; I467-F469 HydrophobicContact CB-CE2 3.92Å; I467-F469 HydrophobicContact CG2-CD2 3.99Å; I467-F469 HydrophobicContact CG2-CE2 3.38Å; I467-F469 HydrophobicContact CG2-CZ 3.68Å; F469-L509 WeakPolarHBondContact O-CA 3.5Å; F469-L510 HydrophobicContact CB-CB 4.37Å; F469-L510 PolarHBondContact N-O 2.94Å; F469-L510 PolarHBondContact O-N 3.11Å; F469-V512 HydrophobicContact CD2-CG2 3.97Å; F469-V512 HydrophobicContact CE2-CG2 4.04Å; F469-F533 HydrophobicContact CE2-CB 4.33Å; F469-F533 AromaticContact CE2-CD1 3.54Å; F469-F533 HydrophobicContact CE2-CD1 3.54Å; F469-F533 HydrophobicContact CE2-CE1 4.23Å; F469-F533 HydrophobicContact CE2-CG 4.23Å; F469-F533 HydrophobicContact CZ-CB 4.12Å; F469-F533 AromaticContact CZ-CD1 3.63Å; F469-F533 HydrophobicContact CZ-CD1 3.63Å; F469-F533 HydrophobicContact CZ-CG 4.3Å; F469-I535 HydrophobicContact CB-CD1 3.74Å; F469-I535 HydrophobicContact CD1-CD1 3.49Å; F469-I535 VanDerWaalsContact CD1-CD1 3.49Å; F469-I535 HydrophobicContact CD1-CG1 4.14Å; F469-I535 HydrophobicContact CD2-CD1 3.93Å; F469-I535 HydrophobicContact CE1-CD1 4.03Å; F469-I535 HydrophobicContact CE1-CG1 4.18Å; F469-I535 HydrophobicContact CE2-CD1 4.41Å; F469-I535 HydrophobicContact CG-CD1 3.45Å; F469-I535 VanDerWaalsContact CG-CD1 3.45Å; F469-I535 HydrophobicContact CG-CG1 4.41Å; F469-I535 HydrophobicContact CZ-CD1 4.47Å; F469-I535 HydrophobicContact CZ-CG1 4.48Å; F469-T549 HydrophobicContact CD1-CG2 4.41Å; F469-T549 HydrophobicContact CE1-CG2 4.29Å; F469-K551 HydrophobicContact CZ-CB 4.48Å |
| 470 | K | 94 | Very high | 87.9 | Confident | 109 Ų | 109 | 55.5 Ų | 55.5 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 135.8 | 179.2 | -172.2 | 179.6 | 179.3 | -176.8 | 0 | 110.4 | F458 D459 L508 L509 | F458-K470 CarbonylContact C-O 3.55Å; F458-K470 WeakPolarHBondContact CA-O 3.07Å; D459-K470 HydrophobicContact CB-CB 4.39Å; D459-K470 PolarHBondContact N-O 2.83Å; D459-K470 PolarHBondContact O-N 2.82Å; K470-L508 CarbonylContact C-O 3.56Å; K470-L508 WeakPolarHBondContact CA-O 3.24Å; K470-L509 HydrophobicContact CB-CD1 4.12Å; K470-L509 HydrophobicContact CG-CD1 4.49Å |
| 471 | L | 92.8 | Very high | 87.7 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 125.4 | 173.2 | 175.5 | 69.3 | 0 | 0 | 0 | 108.9 | P456 F458 Y473 F482 S507 L508 | P456-L471 HydrophobicContact CB-CD1 3.62Å; P456-L471 HydrophobicContact CB-CD2 4.34Å; F458-L471 HydrophobicContact CD1-CB 3.7Å; F458-L471 HydrophobicContact CE1-CB 3.63Å; F458-L471 HydrophobicContact CE1-CD2 4.29Å; F458-L471 HydrophobicContact CG-CB 4.37Å; F458-L471 HydrophobicContact CZ-CB 4.22Å; F458-L471 HydrophobicContact CZ-CD2 4.06Å; L471-Y473 HydrophobicContact CD2-CE1 4.37Å; L471-F482 HydrophobicContact CD2-CE1 3.81Å; L471-F482 HydrophobicContact CD2-CE2 3.87Å; L471-F482 HydrophobicContact CD2-CZ 3.27Å; L471-S507 CarbonylContact O-C 3.59Å; L471-S507 WeakPolarHBondContact O-CA 3.34Å; L471-S507 VanDerWaalsContact O-CB 3.3Å; L471-S507 WeakPolarHBondContact O-CB 3.24Å; L471-L508 HydrophobicContact CB-CB 4.32Å; L471-L508 PolarHBondContact N-O 2.75Å; L471-L508 PolarHBondContact O-N 3Å |
| 472 | A | 89.6 | Confident | 87.5 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 51% | 0.512 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 128.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 473 | Y | 83.8 | Confident | 87.4 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 31% | 0.306 | 26% | 0.255 | S | S | . | . | trans | -72.1 | 135.4 | -177.1 | -76.7 | -53.7 | 0 | 0 | 0 | 112.1 | L471 D477 N503 D504 Q506 L508 | L471-Y473 HydrophobicContact CD2-CE1 4.37Å; Y473-D477 WeakPolarHBondContact CA-OD2 3.17Å; Y473-D477 HydrophobicContact CD1-CB 4.37Å; Y473-N503 VanDerWaalsContact CE2-OD1 3.32Å; Y473-N503 WeakPolarHBondContact CE2-OD1 3.39Å; Y473-N503 PolarHBondContact OH-ND2 2.84Å; Y473-N503 PolarHBondContact OH-OD1 2.99Å; Y473-D504 VanDerWaalsContact CE2-O 3.27Å; Y473-D504 WeakPolarHBondContact CE2-O 3.41Å; Y473-Q506 PolarHBondContact N-O 2.88Å; Y473-L508 HydrophobicContact CE2-CB 4.35Å | ||
| 474 | R | 80.8 | Confident | 87.3 | Confident | 86 Ų | 86 | 48.1 Ų | 48.1 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | trans | -107.8 | 156 | 168 | -58.6 | 173.7 | -64.4 | 170.8 | 9.1 | 109.6 | S454 P456 F476 D477 | S454-R474 PolarHBondContact O-NH1 2.96Å; S454-R474 PolarHBondContact O-NH2 3.49Å; S454-R474 PolarHBondContact OG-NH1 3.17Å; P456-R474 VanDerWaalsContact CA-NH2 3.29Å; R474-F476 HydrophobicContact CB-CE1 4.27Å; R474-F476 HydrophobicContact CB-CE2 4.25Å; R474-F476 HydrophobicContact CB-CZ 4.09Å; R474-F476 PolarHBondContact O-N 3.19Å; R474-D477 IonicContact CZ-OD1 3.68Å; R474-D477 PolarHBondContact N-OD2 2.93Å; R474-D477 IonicContact NE-OD1 3.68Å; R474-D477 PolarHBondContact NE-OD1 2.97Å; R474-D477 IonicContact NE-OD2 3.83Å; R474-D477 IonicContact NH2-OD1 2.72Å; R474-D477 PolarHBondContact NH2-OD1 2.78Å; R474-D477 WeakPolarHBondContact O-CB 3.48Å; R474-D477 PolarHBondContact O-N 3.31Å | ||
| 475 | S | 72.3 | Confident | 87.2 | Confident | 76 Ų | 76 | 41 Ų | 41 | 53% | 0.531 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.5 | -176.2 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | Y478 | S475-Y478 VanDerWaalsContact O-CD1 3.27Å; S475-Y478 WeakPolarHBondContact O-CD1 3.4Å; S475-Y478 WeakPolarHBondContact O-CE1 3.48Å |
| 476 | F | 76.7 | Confident | 87.1 | Confident | 31 Ų | 31 | 41.2 Ų | 41.2 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 7.6 | -179.2 | 51.8 | -100.3 | 0 | 0 | 0 | 113.8 | V453 R474 Y478 L479 W480 | V453-F476 HydrophobicContact CG1-CD2 3.71Å; V453-F476 HydrophobicContact CG1-CE2 4.12Å; V453-F476 HydrophobicContact CG1-CG 4.27Å; V453-F476 HydrophobicContact CG2-CG 4.49Å; R474-F476 HydrophobicContact CB-CE1 4.27Å; R474-F476 HydrophobicContact CB-CE2 4.25Å; R474-F476 HydrophobicContact CB-CZ 4.09Å; R474-F476 PolarHBondContact O-N 3.19Å; F476-Y478 PolarHBondContact O-N 3.3Å; F476-Y478 VanDerWaalsContact O-N 3.11Å; F476-L479 HydrophobicContact CB-CD1 4.22Å; F476-L479 WeakPolarHBondContact O-CB 3.39Å; F476-L479 WeakPolarHBondContact O-CG 3.1Å; F476-L479 PolarHBondContact O-N 2.97Å; F476-W480 AromaticContact CD2-CH2 3.47Å; F476-W480 HydrophobicContact CD2-CH2 3.47Å; F476-W480 VanDerWaalsContact CD2-CH2 3.47Å; F476-W480 AromaticContact CD2-CZ3 3.58Å; F476-W480 HydrophobicContact CD2-CZ3 3.58Å; F476-W480 AromaticContact CE2-CH2 3.76Å; F476-W480 HydrophobicContact CE2-CH2 3.76Å; F476-W480 HydrophobicContact CE2-CZ3 4.03Å; F476-W480 WeakPolarHBondContact O-CZ3 3.46Å |
| 477 | D | 80.1 | Confident | 86.9 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -66.6 | -13.4 | -179.3 | -76 | -18.9 | 0 | 0 | 0 | 114 | Y473 R474 L479 W480 | Y473-D477 WeakPolarHBondContact CA-OD2 3.17Å; Y473-D477 HydrophobicContact CD1-CB 4.37Å; R474-D477 IonicContact CZ-OD1 3.68Å; R474-D477 PolarHBondContact N-OD2 2.93Å; R474-D477 IonicContact NE-OD1 3.68Å; R474-D477 PolarHBondContact NE-OD1 2.97Å; R474-D477 IonicContact NE-OD2 3.83Å; R474-D477 IonicContact NH2-OD1 2.72Å; R474-D477 PolarHBondContact NH2-OD1 2.78Å; R474-D477 WeakPolarHBondContact O-CB 3.48Å; R474-D477 PolarHBondContact O-N 3.31Å; D477-L479 PolarHBondContact O-N 3.2Å; D477-L479 VanDerWaalsContact O-N 3.16Å; D477-W480 HydrophobicContact CB-CE3 4.36Å; D477-W480 HydrophobicContact CB-CZ3 4.4Å; D477-W480 PolarHBondContact O-N 3.16Å; D477-W480 VanDerWaalsContact OD1-CZ3 3.28Å; D477-W480 WeakPolarHBondContact OD1-CZ3 3.46Å |
| 478 | Y | 82.1 | Confident | 86.6 | Confident | 118 Ų | 118 | 50 Ų | 50 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -65.6 | -12.5 | 175.5 | 70.6 | -93.2 | 0 | 0 | 0 | 114.3 | S475 F476 W480 R540 | S475-Y478 VanDerWaalsContact O-CD1 3.27Å; S475-Y478 WeakPolarHBondContact O-CD1 3.4Å; S475-Y478 WeakPolarHBondContact O-CE1 3.48Å; F476-Y478 PolarHBondContact O-N 3.3Å; F476-Y478 VanDerWaalsContact O-N 3.11Å; Y478-W480 VanDerWaalsContact C-N 3.26Å; Y478-R540 VanDerWaalsContact O-CD 3.25Å; Y478-R540 WeakPolarHBondContact O-CD 3.31Å; Y478-R540 PolarHBondContact O-NH1 2.81Å |
| 479 | L | 83.2 | Confident | 86.4 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -74.1 | -14.5 | 178 | -63.9 | 173.5 | 0 | 0 | 0 | 112.9 | F415 V453 F476 D477 R540 | F415-L479 HydrophobicContact CD1-CD1 4.28Å; F415-L479 HydrophobicContact CD1-CD2 4.06Å; F415-L479 HydrophobicContact CD2-CD1 3.62Å; F415-L479 HydrophobicContact CE1-CD1 4.4Å; F415-L479 HydrophobicContact CE1-CD2 4.44Å; F415-L479 HydrophobicContact CE2-CD1 3.78Å; F415-L479 HydrophobicContact CG-CD1 3.89Å; F415-L479 HydrophobicContact CG-CD2 4.23Å; F415-L479 HydrophobicContact CZ-CD1 4.17Å; V453-L479 HydrophobicContact CG1-CD1 3.97Å; F476-L479 HydrophobicContact CB-CD1 4.22Å; F476-L479 WeakPolarHBondContact O-CB 3.39Å; F476-L479 WeakPolarHBondContact O-CG 3.1Å; F476-L479 PolarHBondContact O-N 2.97Å; D477-L479 PolarHBondContact O-N 3.2Å; D477-L479 VanDerWaalsContact O-N 3.16Å; L479-R540 VanDerWaalsContact O-CB 3.24Å; L479-R540 WeakPolarHBondContact O-CB 3.43Å; L479-R540 PolarHBondContact O-N 3.23Å |
| 480 | W | 87.5 | Confident | 86.2 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.8 | -175.7 | -54.6 | -72.2 | 0 | 0 | 0 | 113.3 | V453 S454 P456 F476 D477 Y478 V537 R538 | V453-W480 HydrophobicContact CG1-CH2 3.44Å; V453-W480 VanDerWaalsContact CG1-CH2 3.44Å; V453-W480 HydrophobicContact CG1-CZ2 3.58Å; S454-W480 VanDerWaalsContact C-CZ2 3.41Å; S454-W480 WeakPolarHBondContact O-CH2 3.39Å; S454-W480 VanDerWaalsContact O-CZ2 3.31Å; S454-W480 WeakPolarHBondContact O-CZ2 3.42Å; P456-W480 HydrophobicContact CG-CD2 4.28Å; P456-W480 HydrophobicContact CG-CE3 3.87Å; P456-W480 HydrophobicContact CG-CZ3 4.41Å; F476-W480 AromaticContact CD2-CH2 3.47Å; F476-W480 HydrophobicContact CD2-CH2 3.47Å; F476-W480 VanDerWaalsContact CD2-CH2 3.47Å; F476-W480 AromaticContact CD2-CZ3 3.58Å; F476-W480 HydrophobicContact CD2-CZ3 3.58Å; F476-W480 AromaticContact CE2-CH2 3.76Å; F476-W480 HydrophobicContact CE2-CH2 3.76Å; F476-W480 HydrophobicContact CE2-CZ3 4.03Å; F476-W480 WeakPolarHBondContact O-CZ3 3.46Å; D477-W480 HydrophobicContact CB-CE3 4.36Å; D477-W480 HydrophobicContact CB-CZ3 4.4Å; D477-W480 PolarHBondContact O-N 3.16Å; D477-W480 VanDerWaalsContact OD1-CZ3 3.28Å; D477-W480 WeakPolarHBondContact OD1-CZ3 3.46Å; Y478-W480 VanDerWaalsContact C-N 3.26Å; W480-V537 HydrophobicContact CB-CG1 3.73Å; W480-V537 HydrophobicContact CG-CG1 3.97Å; W480-R538 WeakPolarHBondContact CA-O 3.42Å |
| 481 | D | 89.8 | Confident | 86 | Confident | 27 Ų | 27 | 50.1 Ų | 50.1 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.6 | 171.8 | -84.9 | -11.4 | 0 | 0 | 0 | 110.8 | R488 R538 | D481-R488 VanDerWaalsContact CG-CZ 3.43Å; D481-R488 IonicContact OD1-CZ 3.22Å; D481-R488 IonicContact OD1-NE 3.55Å; D481-R488 PolarHBondContact OD1-NE 3.26Å; D481-R488 IonicContact OD1-NH1 3.2Å; D481-R488 IonicContact OD1-NH2 3.59Å; D481-R488 PolarHBondContact OD1-NH2 3Å; D481-R488 IonicContact OD2-CZ 3.25Å; D481-R488 IonicContact OD2-NE 3.71Å; D481-R488 IonicContact OD2-NH1 2.67Å; D481-R488 PolarHBondContact OD2-NH1 3.5Å; D481-R488 IonicContact OD2-NH2 3.08Å; D481-R538 PolarHBondContact N-O 2.88Å; D481-R538 PolarHBondContact O-N 2.83Å |
| 482 | F | 91.8 | Very high | 85.8 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 132.4 | 176 | -51.8 | -69.3 | 0 | 0 | 0 | 110.2 | P456 F458 L471 L489 I535 V537 | P456-F482 HydrophobicContact CB-CE1 4.38Å; P456-F482 HydrophobicContact CG-CE1 3.57Å; P456-F482 HydrophobicContact CG-CZ 3.77Å; F458-F482 AromaticContact CE2-CD1 3.48Å; F458-F482 HydrophobicContact CE2-CD1 3.48Å; F458-F482 VanDerWaalsContact CE2-CD1 3.48Å; F458-F482 AromaticContact CE2-CE1 3.67Å; F458-F482 HydrophobicContact CE2-CE1 3.67Å; F458-F482 HydrophobicContact CE2-CG 4.29Å; F458-F482 AromaticContact CZ-CD1 3.6Å; F458-F482 HydrophobicContact CZ-CD1 3.6Å; F458-F482 AromaticContact CZ-CE1 3.84Å; F458-F482 HydrophobicContact CZ-CE1 3.84Å; F458-F482 AromaticContact CZ-CG 3.99Å; F458-F482 HydrophobicContact CZ-CG 3.99Å; F458-F482 HydrophobicContact CZ-CZ 4.48Å; L471-F482 HydrophobicContact CD2-CE1 3.81Å; L471-F482 HydrophobicContact CD2-CE2 3.87Å; L471-F482 HydrophobicContact CD2-CZ 3.27Å; F482-L489 HydrophobicContact CB-CB 4.04Å; F482-L489 HydrophobicContact CB-CD2 4.11Å; F482-L489 VanDerWaalsContact O-CB 3.28Å; F482-L489 WeakPolarHBondContact O-CB 3.46Å; F482-L489 PolarHBondContact O-N 3.33Å; F482-I535 HydrophobicContact CB-CG2 4.45Å; F482-V537 HydrophobicContact CD1-CG2 4.14Å; F482-V537 HydrophobicContact CE1-CG1 4.46Å; F482-V537 HydrophobicContact CE1-CG2 4.26Å |
| 483 | T | 91 | Very high | 85.8 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 149.4 | -178 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | D487 L536 | T483-D487 CarbonylContact C-O 3.59Å; T483-D487 WeakPolarHBondContact CA-O 3.43Å; T483-D487 WeakPolarHBondContact CB-O 3.22Å; T483-L536 PolarHBondContact N-O 2.91Å; T483-L536 PolarHBondContact O-N 2.8Å; T483-L536 WeakPolarHBondContact OG1-CB 3.42Å; T483-L536 PolarHBondContact OG1-O 2.96Å |
| 484 | I | 90.6 | Very high | 86.1 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 105.3 | 171.9 | -62.2 | 166.7 | 0 | 0 | 0 | 106.6 | S486 D487 L489 Y499 L510 F533 | I484-S486 PolarHBondContact O-N 2.94Å; I484-D487 PolarHBondContact N-O 3.38Å; I484-D487 PolarHBondContact O-N 3.16Å; I484-D487 VanDerWaalsContact O-N 3.13Å; I484-L489 HydrophobicContact CD1-CD1 3.73Å; I484-Y499 HydrophobicContact CD1-CD2 3.96Å; I484-Y499 HydrophobicContact CD1-CE2 3.37Å; I484-L510 HydrophobicContact CD1-CD2 4.28Å; I484-F533 HydrophobicContact CD1-CE1 4.31Å; I484-F533 HydrophobicContact CD1-CZ 4Å; I484-F533 HydrophobicContact CG1-CE1 4.33Å; I484-F533 HydrophobicContact CG1-CZ 4.28Å; I484-F533 HydrophobicContact CG2-CE1 4.44Å; I484-F533 HydrophobicContact CG2-CZ 3.86Å |
| 485 | G | 84.1 | Confident | 86.5 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 47% | 0.474 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | -116 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R538 | G485-R538 PolarHBondContact O-NH2 2.94Š|
| 486 | S | 82.3 | Confident | 87.2 | Confident | 88 Ų | 88 | 50.9 Ų | 50.9 | 62% | 0.615 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -22.3 | 174.2 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | I484 R538 | I484-S486 PolarHBondContact O-N 2.94Å; S486-R538 PolarHBondContact O-NH1 3.36Å |
| 487 | D | 86.8 | Confident | 87.6 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 31% | 0.31 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 133.2 | -158.8 | -55.1 | -28.6 | 0 | 0 | 0 | 111.6 | T483 I484 L489 L493 | T483-D487 CarbonylContact C-O 3.59Å; T483-D487 WeakPolarHBondContact CA-O 3.43Å; T483-D487 WeakPolarHBondContact CB-O 3.22Å; I484-D487 PolarHBondContact N-O 3.38Å; I484-D487 PolarHBondContact O-N 3.16Å; I484-D487 VanDerWaalsContact O-N 3.13Å; D487-L489 PolarHBondContact O-N 3.32Å; D487-L493 HydrophobicContact CB-CD1 3.92Å; D487-L493 HydrophobicContact CB-CD2 3.73Å |
| 488 | R | 89.8 | Confident | 87.9 | Confident | 128 Ų | 128 | 53.1 Ų | 53.1 | 48% | 0.483 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 126.4 | 179.2 | -175.2 | 178.1 | 176.3 | 166.4 | 5.7 | 111.1 | D481 T490 L493 | D481-R488 VanDerWaalsContact CG-CZ 3.43Å; D481-R488 IonicContact OD1-CZ 3.22Å; D481-R488 IonicContact OD1-NE 3.55Å; D481-R488 PolarHBondContact OD1-NE 3.26Å; D481-R488 IonicContact OD1-NH1 3.2Å; D481-R488 IonicContact OD1-NH2 3.59Å; D481-R488 PolarHBondContact OD1-NH2 3Å; D481-R488 IonicContact OD2-CZ 3.25Å; D481-R488 IonicContact OD2-NE 3.71Å; D481-R488 IonicContact OD2-NH1 2.67Å; D481-R488 PolarHBondContact OD2-NH1 3.5Å; D481-R488 IonicContact OD2-NH2 3.08Å; R488-T490 HydrophobicContact CG-CG2 4.46Å; R488-T490 PolarHBondContact O-N 3.26Å; R488-T490 VanDerWaalsContact O-N 3.1Å; R488-L493 VanDerWaalsContact O-CD2 3.28Å; R488-L493 WeakPolarHBondContact O-CD2 3.21Å |
| 489 | L | 90.7 | Very high | 88.4 | Confident | 19 Ų | 19 | 48 Ų | 48 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | trans | -64.3 | 111.8 | 178.9 | -176.6 | 59.3 | 0 | 0 | 0 | 109.8 | F482 I484 D487 M501 L508 L510 | F482-L489 HydrophobicContact CB-CB 4.04Å; F482-L489 HydrophobicContact CB-CD2 4.11Å; F482-L489 VanDerWaalsContact O-CB 3.28Å; F482-L489 WeakPolarHBondContact O-CB 3.46Å; F482-L489 PolarHBondContact O-N 3.33Å; I484-L489 HydrophobicContact CD1-CD1 3.73Å; D487-L489 PolarHBondContact O-N 3.32Å; L489-M501 HydrophobicContact CD1-CE 3.29Å; L489-M501 HydrophobicContact CD2-CE 3.86Å; L489-M501 HydrophobicContact CG-CE 3.34Å; L489-L508 HydrophobicContact CD2-CD2 4.35Å; L489-L510 HydrophobicContact CD1-CD1 4.23Å; L489-L510 HydrophobicContact CD1-CD2 4.18Å; L489-L510 HydrophobicContact CD2-CD2 4.06Å | ||
| 490 | T | 90.2 | Very high | 88.9 | Confident | 53 Ų | 53 | 51.1 Ų | 51.1 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | trans | -135.4 | 159.3 | 176.1 | 58.2 | 0 | 0 | 0 | 0 | 109.1 | R488 V492 L493 A494 | R488-T490 HydrophobicContact CG-CG2 4.46Å; R488-T490 PolarHBondContact O-N 3.26Å; R488-T490 VanDerWaalsContact O-N 3.1Å; T490-V492 PolarHBondContact O-N 2.91Å; T490-L493 PolarHBondContact O-N 3.45Å; T490-L493 VanDerWaalsContact O-N 3.14Å; T490-L493 WeakPolarHBondContact OG1-CB 3.44Å; T490-L493 PolarHBondContact OG1-N 2.84Å; T490-L493 VanDerWaalsContact OG1-N 3.16Å; T490-A494 WeakPolarHBondContact O-CB 3.45Å; T490-A494 PolarHBondContact O-N 2.66Å | ||
| 491 | P | 89.3 | Confident | 89.2 | Confident | 84 Ų | 84 | 52.2 Ų | 52.2 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.9 | -35.4 | 176 | -26.1 | 34.6 | 0 | 0 | 0 | 113 | A494 A495 M501 | P491-A494 PolarHBondContact O-N 3.03Å; P491-A495 PolarHBondContact O-N 3.49Å; P491-M501 HydrophobicContact CB-SD 4.35Å; P491-M501 HydrophobicContact CG-SD 3.95Å |
| 492 | V | 89.3 | Confident | 89.2 | Confident | 102 Ų | 102 | 54 Ų | 54 | 62% | 0.618 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -68 | -45 | 177.1 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | T490 A494 A495 N496 | T490-V492 PolarHBondContact O-N 2.91Å; V492-A494 VanDerWaalsContact C-N 3.33Å; V492-A495 PolarHBondContact O-N 3.04Å; V492-N496 WeakPolarHBondContact O-CB 3.41Å; V492-N496 VanDerWaalsContact O-CG 3.28Å; V492-N496 PolarHBondContact O-N 3.33Å |
| 493 | L | 89.2 | Confident | 89.1 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 12% | 0.12 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61 | -45.7 | 174.1 | -171.5 | 80.1 | 0 | 0 | 0 | 110.4 | D487 R488 T490 A495 N496 H497 | D487-L493 HydrophobicContact CB-CD1 3.92Å; D487-L493 HydrophobicContact CB-CD2 3.73Å; R488-L493 VanDerWaalsContact O-CD2 3.28Å; R488-L493 WeakPolarHBondContact O-CD2 3.21Å; T490-L493 PolarHBondContact O-N 3.45Å; T490-L493 VanDerWaalsContact O-N 3.14Å; T490-L493 WeakPolarHBondContact OG1-CB 3.44Å; T490-L493 PolarHBondContact OG1-N 2.84Å; T490-L493 VanDerWaalsContact OG1-N 3.16Å; L493-A495 VanDerWaalsContact C-N 3.34Å; L493-A495 PolarHBondContact O-N 2.82Å; L493-N496 PolarHBondContact O-N 3.2Å; L493-N496 VanDerWaalsContact O-N 3.14Å; L493-H497 VanDerWaalsContact CD1-CD2 3.41Å; L493-H497 WeakPolarHBondContact CD1-CD2 3.47Å; L493-H497 VanDerWaalsContact CD1-NE2 3.29Å; L493-H497 WeakPolarHBondContact CD1-NE2 3.44Å; L493-H497 PolarHBondContact O-CD2 3Å; L493-H497 PolarHBondContact O-N 2.68Å |
| 494 | A | 90.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.7 | -49.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T490 P491 V492 N496 H497 G498 Y499 M501 L510 | T490-A494 WeakPolarHBondContact O-CB 3.45Å; T490-A494 PolarHBondContact O-N 2.66Å; P491-A494 PolarHBondContact O-N 3.03Å; V492-A494 VanDerWaalsContact C-N 3.33Å; A494-N496 PolarHBondContact O-N 2.9Å; A494-H497 PolarHBondContact O-N 2.74Å; A494-G498 PolarHBondContact O-N 3.16Å; A494-G498 VanDerWaalsContact O-N 3.1Å; A494-Y499 CarbonylContact C-O 3.57Å; A494-Y499 HydrophobicContact CB-CD2 4.27Å; A494-Y499 PolarHBondContact O-N 3.04Å; A494-M501 HydrophobicContact CB-CB 3.91Å; A494-M501 HydrophobicContact CB-CE 4.08Å; A494-L510 HydrophobicContact CB-CD1 4.48Å |
| 495 | A | 88.6 | Confident | 88.3 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 59% | 0.587 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | P491 V492 L493 H497 G498 | P491-A495 PolarHBondContact O-N 3.49Å; V492-A495 PolarHBondContact O-N 3.04Å; L493-A495 VanDerWaalsContact C-N 3.34Å; L493-A495 PolarHBondContact O-N 2.82Å; A495-H497 VanDerWaalsContact C-N 3.27Å; A495-H497 PolarHBondContact O-N 2.89Å; A495-G498 PolarHBondContact O-N 2.82Å |
| 496 | N | 86.7 | Confident | 88.4 | Confident | 127 Ų | 127 | 70.3 Ų | 70.3 | 68% | 0.679 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.8 | -31.7 | 179.6 | -75.4 | -13.8 | 0 | 0 | 0 | 113.3 | V492 L493 A494 | V492-N496 WeakPolarHBondContact O-CB 3.41Å; V492-N496 VanDerWaalsContact O-CG 3.28Å; V492-N496 PolarHBondContact O-N 3.33Å; L493-N496 PolarHBondContact O-N 3.2Å; L493-N496 VanDerWaalsContact O-N 3.14Å; A494-N496 PolarHBondContact O-N 2.9Å |
| 497 | H | 87 | Confident | 88.7 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 20% | 0.199 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -96.9 | 2.7 | -178.3 | -72 | -97 | 0 | 0 | 0 | 113.6 | L493 A494 A495 Y499 T516 H517 | L493-H497 VanDerWaalsContact CD1-CD2 3.41Å; L493-H497 WeakPolarHBondContact CD1-CD2 3.47Å; L493-H497 VanDerWaalsContact CD1-NE2 3.29Å; L493-H497 WeakPolarHBondContact CD1-NE2 3.44Å; L493-H497 PolarHBondContact O-CD2 3Å; L493-H497 PolarHBondContact O-N 2.68Å; A494-H497 PolarHBondContact O-N 2.74Å; A495-H497 VanDerWaalsContact C-N 3.27Å; A495-H497 PolarHBondContact O-N 2.89Å; H497-Y499 HydrophobicContact CB-CD1 4.41Å; H497-Y499 HydrophobicContact CB-CD2 3.98Å; H497-Y499 HydrophobicContact CB-CE1 3.96Å; H497-Y499 HydrophobicContact CB-CE2 3.42Å; H497-Y499 VanDerWaalsContact CB-CE2 3.42Å; H497-Y499 HydrophobicContact CB-CG 4.42Å; H497-Y499 VanDerWaalsContact CB-CZ 3.43Å; H497-T516 WeakPolarHBondContact O-CB 3.21Å; H497-H517 HydrophobicContact CB-CB 4.19Å; H497-H517 AromaticContact CE1-CE1 3.62Å; H497-H517 AromaticContact CE1-CG 3.64Å; H497-H517 AromaticContact CE1-ND1 3.38Å; H497-H517 PolarHBondContact CE1-ND1 3.18Å; H497-H517 WeakPolarHBondContact ND1-CB 3.4Å; H497-H517 AromaticContact ND1-CD2 3.83Å; H497-H517 AromaticContact ND1-CE1 3.78Å; H497-H517 AromaticContact ND1-CG 3.08Å; H497-H517 AromaticContact ND1-ND1 3.07Å; H497-H517 PolarHBondContact ND1-ND1 3.02Å |
| 498 | G | 86 | Confident | 89 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 42% | 0.423 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 16.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A494 A495 | A494-G498 PolarHBondContact O-N 3.16Å; A494-G498 VanDerWaalsContact O-N 3.1Å; A495-G498 PolarHBondContact O-N 2.82Å |
| 499 | Y | 93 | Very high | 89.2 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 4% | 0.043 | 37% | 0.372 | C | S | . | . | trans | -86.3 | 153.7 | 174.7 | -40.7 | -39.6 | 0 | 0 | 0 | 110.7 | I484 A494 H497 L510 V512 T516 H517 F533 | I484-Y499 HydrophobicContact CD1-CD2 3.96Å; I484-Y499 HydrophobicContact CD1-CE2 3.37Å; A494-Y499 CarbonylContact C-O 3.57Å; A494-Y499 HydrophobicContact CB-CD2 4.27Å; A494-Y499 PolarHBondContact O-N 3.04Å; H497-Y499 HydrophobicContact CB-CD1 4.41Å; H497-Y499 HydrophobicContact CB-CD2 3.98Å; H497-Y499 HydrophobicContact CB-CE1 3.96Å; H497-Y499 HydrophobicContact CB-CE2 3.42Å; H497-Y499 VanDerWaalsContact CB-CE2 3.42Å; H497-Y499 HydrophobicContact CB-CG 4.42Å; H497-Y499 VanDerWaalsContact CB-CZ 3.43Å; Y499-L510 HydrophobicContact CD2-CD1 4.3Å; Y499-L510 HydrophobicContact CG-CD1 4.35Å; Y499-V512 HydrophobicContact CD1-CB 4.42Å; Y499-V512 HydrophobicContact CD1-CG1 3.64Å; Y499-V512 HydrophobicContact CE1-CG1 3.68Å; Y499-T516 HydrophobicContact CD1-CG2 4.31Å; Y499-T516 HydrophobicContact CE1-CG2 4.47Å; Y499-T516 WeakPolarHBondContact CE1-OG1 3.12Å; Y499-H517 WeakPolarHBondContact CE1-O 3.26Å; Y499-H517 PolarHBondContact OH-O 2.81Å; Y499-F533 HydrophobicContact CE1-CE2 4.3Å; Y499-F533 HydrophobicContact CE1-CZ 4.32Å | ||
| 500 | T | 92.6 | Very high | 89.4 | Confident | 95 Ų | 95 | 61 Ų | 61 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.8 | 170 | -56 | 0 | 0 | 0 | 0 | 108.7 | S511 | T500-S511 PolarHBondContact N-O 3.16Å; T500-S511 PolarHBondContact O-N 3.39Å |
| 501 | M | 93 | Very high | 89.6 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 20% | 0.197 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.6 | -179.8 | 179.3 | -173.6 | -77 | 0 | 0 | 110.1 | L489 P491 A494 N503 L508 L509 L510 | L489-M501 HydrophobicContact CD1-CE 3.29Å; L489-M501 HydrophobicContact CD2-CE 3.86Å; L489-M501 HydrophobicContact CG-CE 3.34Å; P491-M501 HydrophobicContact CB-SD 4.35Å; P491-M501 HydrophobicContact CG-SD 3.95Å; A494-M501 HydrophobicContact CB-CB 3.91Å; A494-M501 HydrophobicContact CB-CE 4.08Å; M501-N503 HydrophobicContact CG-CB 4.47Å; M501-L508 HydrophobicContact CE-CD1 4.25Å; M501-L508 HydrophobicContact CG-CD1 3.77Å; M501-L508 HydrophobicContact SD-CD1 3.98Å; M501-L509 CarbonylContact C-O 3.49Å; M501-L509 WeakPolarHBondContact CA-O 3.47Å; M501-L510 HydrophobicContact CB-CD1 4.17Å; M501-L510 HydrophobicContact CE-CD1 4.12Å |
| 502 | S | 91 | Very high | 89.9 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.6 | 164 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | L509 | S502-L509 PolarHBondContact N-O 2.93Å; S502-L509 PolarHBondContact O-N 3.1Å |
| 503 | N | 89.2 | Confident | 90 | Very high | 87 Ų | 87 | 53.3 Ų | 53.3 | 47% | 0.465 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 108.9 | 179.8 | -174.4 | -7.6 | 0 | 0 | 0 | 108.4 | Y473 M501 L508 | Y473-N503 VanDerWaalsContact CE2-OD1 3.32Å; Y473-N503 WeakPolarHBondContact CE2-OD1 3.39Å; Y473-N503 PolarHBondContact OH-ND2 2.84Å; Y473-N503 PolarHBondContact OH-OD1 2.99Å; M501-N503 HydrophobicContact CG-CB 4.47Å; N503-L508 HydrophobicContact CB-CD1 3.77Å |
| 504 | D | 84.8 | Confident | 89.8 | Confident | 76 Ų | 76 | 53.8 Ų | 53.8 | 41% | 0.406 | 32% | 0.324 | S | S | . | . | trans | -117.6 | -176.3 | 177.5 | 64 | 43.6 | 0 | 0 | 0 | 110.8 | Y473 Q506 S507 | Y473-D504 VanDerWaalsContact CE2-O 3.27Å; Y473-D504 WeakPolarHBondContact CE2-O 3.41Å; D504-Q506 PolarHBondContact O-N 3.24Å; D504-Q506 WeakPolarHBondContact OD1-CA 3.28Å; D504-Q506 PolarHBondContact OD1-N 3.05Å; D504-S507 PolarHBondContact N-O 2.99Å; D504-S507 PolarHBondContact OD1-N 2.89Å | ||
| 505 | S | 80.2 | Confident | 89.2 | Confident | 114 Ų | 114 | 59 Ų | 59 | 80% | 0.797 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -69.1 | -13.2 | -177.6 | 58.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 506 | Q | 85.3 | Confident | 88.9 | Confident | 150 Ų | 150 | 56.6 Ų | 56.6 | 70% | 0.701 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -112.4 | -29.2 | -174.2 | -63.5 | -172 | -8.1 | 0 | 0 | 112.8 | Y473 D504 | Y473-Q506 PolarHBondContact N-O 2.88Å; D504-Q506 PolarHBondContact O-N 3.24Å; D504-Q506 WeakPolarHBondContact OD1-CA 3.28Å; D504-Q506 PolarHBondContact OD1-N 3.05Å |
| 507 | S | 90.4 | Very high | 88.8 | Confident | 25 Ų | 25 | 55 Ų | 55 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 157.2 | -175.6 | 66.9 | 0 | 0 | 0 | 0 | 114.4 | L471 D504 | L471-S507 CarbonylContact O-C 3.59Å; L471-S507 WeakPolarHBondContact O-CA 3.34Å; L471-S507 VanDerWaalsContact O-CB 3.3Å; L471-S507 WeakPolarHBondContact O-CB 3.24Å; D504-S507 PolarHBondContact N-O 2.99Å; D504-S507 PolarHBondContact OD1-N 2.89Å |
| 508 | L | 92.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.5 | 168.9 | 175.1 | 69.5 | 0 | 0 | 0 | 108.9 | F458 K470 L471 Y473 L489 M501 N503 | F458-L508 HydrophobicContact CE1-CD2 3.89Å; F458-L508 HydrophobicContact CZ-CD2 4.12Å; K470-L508 CarbonylContact C-O 3.56Å; K470-L508 WeakPolarHBondContact CA-O 3.24Å; L471-L508 HydrophobicContact CB-CB 4.32Å; L471-L508 PolarHBondContact N-O 2.75Å; L471-L508 PolarHBondContact O-N 3Å; Y473-L508 HydrophobicContact CE2-CB 4.35Å; L489-L508 HydrophobicContact CD2-CD2 4.35Å; M501-L508 HydrophobicContact CE-CD1 4.25Å; M501-L508 HydrophobicContact CG-CD1 3.77Å; M501-L508 HydrophobicContact SD-CD1 3.98Å; N503-L508 HydrophobicContact CB-CD1 3.77Å |
| 509 | L | 93.7 | Very high | 88.7 | Confident | 68 Ų | 68 | 53 Ų | 53 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.2 | 170.2 | 180 | 67 | 0 | 0 | 0 | 109.2 | D468 F469 K470 M501 S502 | D468-L509 HydrophobicContact CB-CD1 4.47Å; F469-L509 WeakPolarHBondContact O-CA 3.5Å; K470-L509 HydrophobicContact CB-CD1 4.12Å; K470-L509 HydrophobicContact CG-CD1 4.49Å; M501-L509 CarbonylContact C-O 3.49Å; M501-L509 WeakPolarHBondContact CA-O 3.47Å; S502-L509 PolarHBondContact N-O 2.93Å; S502-L509 PolarHBondContact O-N 3.1Å |
| 510 | L | 95.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 109.4 | 174.1 | 179.8 | 72.7 | 0 | 0 | 0 | 109.4 | F469 I484 L489 A494 Y499 M501 V512 I535 | F469-L510 HydrophobicContact CB-CB 4.37Å; F469-L510 PolarHBondContact N-O 2.94Å; F469-L510 PolarHBondContact O-N 3.11Å; I484-L510 HydrophobicContact CD1-CD2 4.28Å; L489-L510 HydrophobicContact CD1-CD1 4.23Å; L489-L510 HydrophobicContact CD1-CD2 4.18Å; L489-L510 HydrophobicContact CD2-CD2 4.06Å; A494-L510 HydrophobicContact CB-CD1 4.48Å; Y499-L510 HydrophobicContact CD2-CD1 4.3Å; Y499-L510 HydrophobicContact CG-CD1 4.35Å; M501-L510 HydrophobicContact CB-CD1 4.17Å; M501-L510 HydrophobicContact CE-CD1 4.12Å; L510-V512 HydrophobicContact CD2-CG2 3.91Å; L510-V512 HydrophobicContact CG-CG2 3.85Å; L510-I535 HydrophobicContact CD2-CD1 3.83Å |
| 511 | S | 94.8 | Very high | 88.2 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122 | 171.1 | -67.8 | 0 | 0 | 0 | 0 | 109.9 | D468 T500 P513 | D468-S511 VanDerWaalsContact OD1-CA 3.24Å; D468-S511 WeakPolarHBondContact OD1-CA 3.3Å; D468-S511 WeakPolarHBondContact OD1-CB 3.45Å; D468-S511 PolarHBondContact OD1-OG 3.13Å; T500-S511 PolarHBondContact N-O 3.16Å; T500-S511 PolarHBondContact O-N 3.39Å; S511-P513 WeakPolarHBondContact O-CD 3.43Å |
| 512 | V | 94.7 | Very high | 87.8 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 101.5 | -176.9 | -166.4 | 0 | 0 | 0 | 0 | 108.5 | G466 I467 F469 Y499 L510 T516 Y519 F533 | G466-V512 CarbonylContact C-O 3.48Å; G466-V512 WeakPolarHBondContact CA-O 3.44Å; I467-V512 PolarHBondContact N-O 3.11Å; I467-V512 WeakPolarHBondContact O-CB 3.48Å; I467-V512 PolarHBondContact O-N 3.3Å; F469-V512 HydrophobicContact CD2-CG2 3.97Å; F469-V512 HydrophobicContact CE2-CG2 4.04Å; Y499-V512 HydrophobicContact CD1-CB 4.42Å; Y499-V512 HydrophobicContact CD1-CG1 3.64Å; Y499-V512 HydrophobicContact CE1-CG1 3.68Å; L510-V512 HydrophobicContact CD2-CG2 3.91Å; L510-V512 HydrophobicContact CG-CG2 3.85Å; V512-T516 WeakPolarHBondContact CG1-OG1 3.33Å; V512-Y519 HydrophobicContact CB-CE2 4.26Å; V512-Y519 HydrophobicContact CG1-CD2 4.24Å; V512-Y519 HydrophobicContact CG1-CE2 3.43Å; V512-Y519 VanDerWaalsContact CG1-CE2 3.43Å; V512-Y519 PolarHBondContact O-OH 2.96Å; V512-F533 HydrophobicContact CG1-CD2 3.81Å; V512-F533 HydrophobicContact CG1-CE1 4.34Å; V512-F533 HydrophobicContact CG1-CE2 3.47Å; V512-F533 VanDerWaalsContact CG1-CE2 3.47Å; V512-F533 HydrophobicContact CG1-CG 4.36Å; V512-F533 HydrophobicContact CG1-CZ 3.76Å; V512-F533 HydrophobicContact CG2-CD1 4.39Å; V512-F533 HydrophobicContact CG2-CE1 4.02Å; V512-F533 HydrophobicContact CG2-CZ 4.12Å |
| 513 | P | 91.3 | Very high | 87.5 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 31% | 0.312 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 156.2 | 177.8 | -21.5 | 32.6 | 0 | 0 | 0 | 113.4 | S465 S511 T516 Y519 | S465-P513 CarbonylContact O-C 3.47Å; S465-P513 WeakPolarHBondContact O-CA 3.41Å; S511-P513 WeakPolarHBondContact O-CD 3.43Å; P513-T516 HydrophobicContact CB-CG2 4.08Å; P513-T516 HydrophobicContact CG-CG2 4.32Å; P513-T516 WeakPolarHBondContact O-CG2 3.46Å; P513-T516 PolarHBondContact O-N 3.47Å; P513-T516 PolarHBondContact O-OG1 3.5Å; P513-Y519 WeakPolarHBondContact O-CE2 3.43Å |
| 514 | L | 84.9 | Confident | 87.4 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 17% | 0.173 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 148 | 170.6 | -73.6 | 171.2 | 0 | 0 | 0 | 111.8 | S465 T516 Y521 F529 F555 | S465-L514 PolarHBondContact O-N 3.46Å; L514-T516 PolarHBondContact O-N 3.3Å; L514-Y521 HydrophobicContact CD2-CE1 4.13Å; L514-F529 HydrophobicContact CD1-CZ 4.29Å; L514-F529 HydrophobicContact CD2-CE2 4Å; L514-F529 HydrophobicContact CD2-CZ 4.11Å; L514-F555 HydrophobicContact CD1-CB 4.3Å; L514-F555 HydrophobicContact CD1-CD1 3.73Å; L514-F555 HydrophobicContact CD1-CE1 4.18Å; L514-F555 HydrophobicContact CD1-CG 4.01Å; L514-F555 HydrophobicContact CD2-CD1 3.94Å; L514-F555 HydrophobicContact CD2-CD2 3.7Å; L514-F555 HydrophobicContact CD2-CE1 3.9Å; L514-F555 HydrophobicContact CD2-CE2 3.67Å; L514-F555 HydrophobicContact CD2-CG 3.82Å; L514-F555 HydrophobicContact CD2-CZ 3.76Å; L514-F555 HydrophobicContact CG-CD1 4.16Å; L514-F555 HydrophobicContact CG-CE1 4.15Å; L514-F555 HydrophobicContact CG-CG 4.44Å; L514-F555 HydrophobicContact CG-CZ 4.44Å |
| 515 | F | 77.9 | Confident | 87.4 | Confident | 111 Ų | 111 | 58.8 Ų | 58.8 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 14.3 | 178.7 | -40.7 | -62.5 | 0 | 0 | 0 | 115.4 | Y521 F529 F560 | F515-Y521 WeakPolarHBondContact CA-OH 3.39Å; F515-Y521 HydrophobicContact CD1-CE2 4.26Å; F515-Y521 PolarHBondContact N-OH 3.19Å; F515-F529 HydrophobicContact CE1-CZ 4.11Å; F515-F529 HydrophobicContact CZ-CE1 4.48Å; F515-F529 HydrophobicContact CZ-CZ 4.1Å; F515-F560 AromaticContact CE1-CD2 3.54Å; F515-F560 HydrophobicContact CE1-CD2 3.54Å; F515-F560 AromaticContact CE1-CE2 3.68Å; F515-F560 HydrophobicContact CE1-CE2 3.68Å; F515-F560 AromaticContact CZ-CD2 4Å; F515-F560 HydrophobicContact CZ-CD2 4Å |
| 516 | T | 84.1 | Confident | 87.5 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 12% | 0.117 | 28% | 0.282 | C | S | . | . | trans | -82.3 | 163.5 | 169.2 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | H497 Y499 V512 P513 L514 | H497-T516 WeakPolarHBondContact O-CB 3.21Å; Y499-T516 HydrophobicContact CD1-CG2 4.31Å; Y499-T516 HydrophobicContact CE1-CG2 4.47Å; Y499-T516 WeakPolarHBondContact CE1-OG1 3.12Å; V512-T516 WeakPolarHBondContact CG1-OG1 3.33Å; P513-T516 HydrophobicContact CB-CG2 4.08Å; P513-T516 HydrophobicContact CG-CG2 4.32Å; P513-T516 WeakPolarHBondContact O-CG2 3.46Å; P513-T516 PolarHBondContact O-N 3.47Å; P513-T516 PolarHBondContact O-OG1 3.5Å; L514-T516 PolarHBondContact O-N 3.3Å | ||
| 517 | H | 83.2 | Confident | 87.2 | Confident | 94 Ų | 94 | 54 Ų | 54 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 146.7 | 175.9 | -175.1 | -94 | 0 | 0 | 0 | 111.8 | H497 Y499 F533 | H497-H517 HydrophobicContact CB-CB 4.19Å; H497-H517 AromaticContact CE1-CE1 3.62Å; H497-H517 AromaticContact CE1-CG 3.64Å; H497-H517 AromaticContact CE1-ND1 3.38Å; H497-H517 PolarHBondContact CE1-ND1 3.18Å; H497-H517 WeakPolarHBondContact ND1-CB 3.4Å; H497-H517 AromaticContact ND1-CD2 3.83Å; H497-H517 AromaticContact ND1-CE1 3.78Å; H497-H517 AromaticContact ND1-CG 3.08Å; H497-H517 AromaticContact ND1-ND1 3.07Å; H497-H517 PolarHBondContact ND1-ND1 3.02Å; Y499-H517 WeakPolarHBondContact CE1-O 3.26Å; Y499-H517 PolarHBondContact OH-O 2.81Å; H517-F533 WeakPolarHBondContact O-CE2 3.48Å |
| 518 | G | 84.8 | Confident | 87 | Confident | 35 Ų | 35 | 53.2 Ų | 53.2 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -12.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 519 | Y | 87.4 | Confident | 86.9 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | trans | -70.3 | 147.5 | 170.5 | -89.2 | -80.8 | 0 | 0 | 0 | 112.4 | I467 V512 P513 Y521 T532 F533 | I467-Y519 HydrophobicContact CD1-CE1 3.75Å; I467-Y519 HydrophobicContact CG1-CE1 4.19Å; I467-Y519 VanDerWaalsContact CG1-OH 3.31Å; I467-Y519 WeakPolarHBondContact CG1-OH 3.41Å; I467-Y519 PolarHBondContact N-OH 3.02Å; V512-Y519 HydrophobicContact CB-CE2 4.26Å; V512-Y519 HydrophobicContact CG1-CD2 4.24Å; V512-Y519 HydrophobicContact CG1-CE2 3.43Å; V512-Y519 VanDerWaalsContact CG1-CE2 3.43Å; V512-Y519 PolarHBondContact O-OH 2.96Å; P513-Y519 WeakPolarHBondContact O-CE2 3.43Å; Y519-Y521 VanDerWaalsContact CB-CZ 3.47Å; Y519-Y521 VanDerWaalsContact CB-OH 3.29Å; Y519-Y521 WeakPolarHBondContact CB-OH 3.48Å; Y519-Y521 HydrophobicContact CD1-CE1 4.02Å; Y519-Y521 HydrophobicContact CG-CE1 4.18Å; Y519-Y521 AromaticContact CG-CZ 3.79Å; Y519-Y521 VanDerWaalsContact CG-OH 3.24Å; Y519-T532 WeakPolarHBondContact CA-O 3.37Å; Y519-F533 HydrophobicContact CD1-CB 4.28Å; Y519-F533 HydrophobicContact CD1-CD2 4.33Å; Y519-F533 AromaticContact CD2-CD2 3.88Å; Y519-F533 HydrophobicContact CD2-CD2 3.88Å; Y519-F533 HydrophobicContact CD2-CE2 4.38Å; Y519-F533 HydrophobicContact CE1-CB 4.03Å; Y519-F533 HydrophobicContact CE1-CD2 4.41Å; Y519-F533 AromaticContact CE2-CD2 3.96Å; Y519-F533 HydrophobicContact CE2-CD2 3.96Å; Y519-F533 HydrophobicContact CE2-CE2 4.5Å; Y519-F533 HydrophobicContact CG-CD2 4.06Å | ||
| 520 | K | 86.9 | Confident | 86.7 | Confident | 149 Ų | 149 | 52.4 Ų | 52.4 | 65% | 0.648 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.3 | 165.7 | -66.4 | -179.2 | -178.9 | 175 | 0 | 109 | T532 | K520-T532 PolarHBondContact N-O 2.86Å; K520-T532 PolarHBondContact O-N 3.39Å |
| 521 | Y | 87.2 | Confident | 86.5 | Confident | 27 Ų | 27 | 52.4 Ų | 52.4 | 11% | 0.106 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.7 | 178.8 | -58.9 | -67 | 0 | 0 | 0 | 111.6 | L514 F515 Y519 F529 L530 F560 M562 | L514-Y521 HydrophobicContact CD2-CE1 4.13Å; F515-Y521 WeakPolarHBondContact CA-OH 3.39Å; F515-Y521 HydrophobicContact CD1-CE2 4.26Å; F515-Y521 PolarHBondContact N-OH 3.19Å; Y519-Y521 VanDerWaalsContact CB-CZ 3.47Å; Y519-Y521 VanDerWaalsContact CB-OH 3.29Å; Y519-Y521 WeakPolarHBondContact CB-OH 3.48Å; Y519-Y521 HydrophobicContact CD1-CE1 4.02Å; Y519-Y521 HydrophobicContact CG-CE1 4.18Å; Y519-Y521 AromaticContact CG-CZ 3.79Å; Y519-Y521 VanDerWaalsContact CG-OH 3.24Å; Y521-F529 AromaticContact CD1-CD2 3.55Å; Y521-F529 HydrophobicContact CD1-CD2 3.55Å; Y521-F529 AromaticContact CD1-CE2 3.48Å; Y521-F529 HydrophobicContact CD1-CE2 3.48Å; Y521-F529 VanDerWaalsContact CD1-CE2 3.48Å; Y521-F529 HydrophobicContact CE1-CD2 4.09Å; Y521-F529 AromaticContact CE1-CE2 3.52Å; Y521-F529 HydrophobicContact CE1-CE2 3.52Å; Y521-F529 HydrophobicContact CE1-CZ 4.39Å; Y521-F529 HydrophobicContact CG-CD2 4.48Å; Y521-L530 CarbonylContact C-O 3.49Å; Y521-L530 VanDerWaalsContact CA-O 3.32Å; Y521-L530 WeakPolarHBondContact CA-O 3.42Å; Y521-F560 HydrophobicContact CD1-CE2 4.46Å; Y521-F560 HydrophobicContact CG-CE2 4.27Å; Y521-F560 HydrophobicContact CG-CZ 4.38Å; Y521-M562 HydrophobicContact CD2-SD 4.02Å; Y521-M562 HydrophobicContact CG-SD 4.43Å |
| 522 | K | 85.3 | Confident | 86.5 | Confident | 133 Ų | 133 | 52.2 Ų | 52.2 | 58% | 0.578 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 163.9 | 177.5 | -69.4 | -173.4 | 178.1 | -179 | 0 | 110.9 | I524 L530 | K522-I524 VanDerWaalsContact C-N 3.27Å; K522-I524 PolarHBondContact O-N 3.35Å; K522-L530 PolarHBondContact N-O 3.46Å; K522-L530 PolarHBondContact O-N 3.06Å |
| 523 | D | 84.5 | Confident | 86.4 | Confident | 126 Ų | 126 | 52.1 Ų | 52.1 | 67% | 0.674 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51 | 46.3 | 174 | -55.5 | -27.9 | 0 | 0 | 0 | 113.3 | G525 L530 | D523-G525 PolarHBondContact O-N 3.23Å; D523-L530 HydrophobicContact CB-CD1 4.35Å; D523-L530 WeakPolarHBondContact OD2-CD1 3.3Å |
| 524 | I | 86.1 | Confident | 86.5 | Confident | 36 Ų | 36 | 51.8 Ų | 51.8 | 19% | 0.185 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 113.2 | -179.4 | -58.3 | 155 | 0 | 0 | 0 | 108.7 | K522 F529 F560 M562 T570 V572 L606 | K522-I524 VanDerWaalsContact C-N 3.27Å; K522-I524 PolarHBondContact O-N 3.35Å; I524-F529 HydrophobicContact CB-CB 4.39Å; I524-F529 HydrophobicContact CG1-CB 3.99Å; I524-F560 HydrophobicContact CD1-CE1 3.67Å; I524-F560 HydrophobicContact CD1-CZ 3.72Å; I524-F560 HydrophobicContact CG1-CE1 4.02Å; I524-F560 HydrophobicContact CG1-CZ 3.97Å; I524-F560 HydrophobicContact CG2-CD1 3.89Å; I524-F560 HydrophobicContact CG2-CE1 3.8Å; I524-F560 HydrophobicContact CG2-CZ 4.46Å; I524-M562 HydrophobicContact CD1-CE 3.52Å; I524-M562 HydrophobicContact CD1-SD 4.17Å; I524-T570 HydrophobicContact CD1-CG2 4.15Å; I524-T570 HydrophobicContact CG2-CG2 3.96Å; I524-V572 HydrophobicContact CG2-CG2 3.96Å; I524-L606 HydrophobicContact CG2-CD1 4.19Å |
| 525 | G | 84.7 | Confident | 87 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 26% | 0.258 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | -178.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D523 N527 G528 | D523-G525 PolarHBondContact O-N 3.23Å; G525-N527 VanDerWaalsContact C-N 3.27Å; G525-N527 PolarHBondContact O-N 3.03Å; G525-G528 PolarHBondContact N-O 3.3Å; G525-G528 PolarHBondContact O-N 2.89Å |
| 526 | L | 82.8 | Confident | 87.7 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -27.2 | 176.9 | -62.6 | 174.5 | 0 | 0 | 0 | 112.3 | G528 V572 A599 D601 R604 L606 | L526-G528 VanDerWaalsContact C-N 3.32Å; L526-V572 HydrophobicContact CD2-CG1 4.07Å; L526-A599 HydrophobicContact CD1-CB 3.81Å; L526-A599 HydrophobicContact CG-CB 4.14Å; L526-D601 HydrophobicContact CD1-CB 3.59Å; L526-R604 HydrophobicContact CD2-CB 4.26Å; L526-R604 PolarHBondContact O-NH1 2.82Å; L526-L606 HydrophobicContact CD2-CB 3.99Å |
| 527 | N | 79.9 | Confident | 88 | Confident | 143 Ų | 143 | 45.6 Ų | 45.6 | 77% | 0.765 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -7 | 179.8 | -63.9 | -11.6 | 0 | 0 | 0 | 113.5 | G525 N556 | G525-N527 VanDerWaalsContact C-N 3.27Å; G525-N527 PolarHBondContact O-N 3.03Å; N527-N556 PolarHBondContact O-OD1 2.73Å |
| 528 | G | 86.3 | Confident | 88.3 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 8% | 0.082 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 138.4 | -170.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | G525 L526 F555 | G525-G528 PolarHBondContact N-O 3.3Å; G525-G528 PolarHBondContact O-N 2.89Å; L526-G528 VanDerWaalsContact C-N 3.32Å; G528-F555 CarbonylContact C-O 3.49Å; G528-F555 WeakPolarHBondContact CA-O 3.5Å |
| 529 | F | 88.6 | Confident | 88.2 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 157.5 | 176 | 61.4 | -96.4 | 0 | 0 | 0 | 111 | L514 F515 Y521 I524 F555 A557 F560 | L514-F529 HydrophobicContact CD1-CZ 4.29Å; L514-F529 HydrophobicContact CD2-CE2 4Å; L514-F529 HydrophobicContact CD2-CZ 4.11Å; F515-F529 HydrophobicContact CE1-CZ 4.11Å; F515-F529 HydrophobicContact CZ-CE1 4.48Å; F515-F529 HydrophobicContact CZ-CZ 4.1Å; Y521-F529 AromaticContact CD1-CD2 3.55Å; Y521-F529 HydrophobicContact CD1-CD2 3.55Å; Y521-F529 AromaticContact CD1-CE2 3.48Å; Y521-F529 HydrophobicContact CD1-CE2 3.48Å; Y521-F529 VanDerWaalsContact CD1-CE2 3.48Å; Y521-F529 HydrophobicContact CE1-CD2 4.09Å; Y521-F529 AromaticContact CE1-CE2 3.52Å; Y521-F529 HydrophobicContact CE1-CE2 3.52Å; Y521-F529 HydrophobicContact CE1-CZ 4.39Å; Y521-F529 HydrophobicContact CG-CD2 4.48Å; I524-F529 HydrophobicContact CB-CB 4.39Å; I524-F529 HydrophobicContact CG1-CB 3.99Å; F529-F555 HydrophobicContact CD2-CB 4.29Å; F529-F555 HydrophobicContact CD2-CD2 4.31Å; F529-F555 HydrophobicContact CE1-CB 4.19Å; F529-F555 HydrophobicContact CE2-CB 3.76Å; F529-F555 AromaticContact CE2-CD2 3.78Å; F529-F555 HydrophobicContact CE2-CD2 3.78Å; F529-F555 HydrophobicContact CE2-CG 4.09Å; F529-F555 HydrophobicContact CZ-CB 3.71Å; F529-F555 HydrophobicContact CZ-CD2 4.46Å; F529-F555 HydrophobicContact CZ-CG 4.34Å; F529-F555 PolarHBondContact N-O 2.77Å; F529-F555 PolarHBondContact O-N 2.9Å; F529-A557 HydrophobicContact CD1-CB 4.21Å; F529-A557 HydrophobicContact CE1-CB 3.52Å; F529-A557 HydrophobicContact CZ-CB 4.49Å; F529-F560 AromaticContact CD1-CD2 3.56Å; F529-F560 HydrophobicContact CD1-CD2 3.56Å; F529-F560 AromaticContact CD1-CE2 3.91Å; F529-F560 HydrophobicContact CD1-CE2 3.91Å; F529-F560 HydrophobicContact CD1-CG 4.22Å; F529-F560 HydrophobicContact CD2-CE2 4.28Å; F529-F560 HydrophobicContact CE1-CB 4.43Å; F529-F560 AromaticContact CE1-CD2 3.32Å; F529-F560 HydrophobicContact CE1-CD2 3.32Å; F529-F560 AromaticContact CE1-CE2 3.85Å; F529-F560 HydrophobicContact CE1-CE2 3.85Å; F529-F560 HydrophobicContact CE1-CG 4.21Å; F529-F560 HydrophobicContact CE2-CD2 4.5Å; F529-F560 HydrophobicContact CE2-CE2 4.26Å; F529-F560 HydrophobicContact CG-CD2 4.24Å; F529-F560 HydrophobicContact CG-CE2 4.11Å; F529-F560 AromaticContact CZ-CD2 3.85Å; F529-F560 HydrophobicContact CZ-CD2 3.85Å; F529-F560 HydrophobicContact CZ-CE2 4.04Å |
| 530 | L | 90.6 | Very high | 88 | Confident | 51 Ų | 51 | 49.7 Ų | 49.7 | 27% | 0.267 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.5 | 173.6 | -64.5 | 177.9 | 0 | 0 | 0 | 109.9 | Y521 K522 D523 T552 C553 L554 | Y521-L530 CarbonylContact C-O 3.49Å; Y521-L530 VanDerWaalsContact CA-O 3.32Å; Y521-L530 WeakPolarHBondContact CA-O 3.42Å; K522-L530 PolarHBondContact N-O 3.46Å; K522-L530 PolarHBondContact O-N 3.06Å; D523-L530 HydrophobicContact CB-CD1 4.35Å; D523-L530 WeakPolarHBondContact OD2-CD1 3.3Å; L530-T552 HydrophobicContact CB-CG2 3.98Å; L530-T552 HydrophobicContact CD1-CG2 4.46Å; L530-T552 HydrophobicContact CD2-CG2 4.26Å; L530-T552 HydrophobicContact CG-CG2 4.47Å; L530-C553 WeakPolarHBondContact CA-O 3.29Å; L530-L554 HydrophobicContact CD2-CB 3.94Å; L530-L554 HydrophobicContact CD2-CD1 3.86Å |
| 531 | G | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T552 C553 | G531-T552 WeakPolarHBondContact O-CA 3.45Å; G531-C553 PolarHBondContact N-O 2.96Å; G531-C553 PolarHBondContact O-N 3.23Å |
| 532 | T | 93.5 | Very high | 87.5 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 15% | 0.153 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 134.1 | 175.7 | -55.3 | 0 | 0 | 0 | 0 | 110.7 | Y519 K520 T550 K551 T552 | Y519-T532 WeakPolarHBondContact CA-O 3.37Å; K520-T532 PolarHBondContact N-O 2.86Å; K520-T532 PolarHBondContact O-N 3.39Å; T532-T550 HydrophobicContact CG2-CG2 3.56Å; T532-K551 CarbonylContact C-O 3.5Å; T532-K551 VanDerWaalsContact CA-O 3.28Å; T532-K551 WeakPolarHBondContact CA-O 3.44Å; T532-T552 WeakPolarHBondContact CG2-OG1 3.4Å; T532-T552 WeakPolarHBondContact OG1-CG2 3.21Å; T532-T552 PolarHBondContact OG1-OG1 3.4Å |
| 533 | F | 94.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144 | 173 | -162.5 | -89.2 | 0 | 0 | 0 | 110.7 | I467 F469 I484 Y499 V512 H517 Y519 I535 T550 K551 | I467-F533 HydrophobicContact CD1-CB 4Å; F469-F533 HydrophobicContact CE2-CB 4.33Å; F469-F533 AromaticContact CE2-CD1 3.54Å; F469-F533 HydrophobicContact CE2-CD1 3.54Å; F469-F533 HydrophobicContact CE2-CE1 4.23Å; F469-F533 HydrophobicContact CE2-CG 4.23Å; F469-F533 HydrophobicContact CZ-CB 4.12Å; F469-F533 AromaticContact CZ-CD1 3.63Å; F469-F533 HydrophobicContact CZ-CD1 3.63Å; F469-F533 HydrophobicContact CZ-CG 4.3Å; I484-F533 HydrophobicContact CD1-CE1 4.31Å; I484-F533 HydrophobicContact CD1-CZ 4Å; I484-F533 HydrophobicContact CG1-CE1 4.33Å; I484-F533 HydrophobicContact CG1-CZ 4.28Å; I484-F533 HydrophobicContact CG2-CE1 4.44Å; I484-F533 HydrophobicContact CG2-CZ 3.86Å; Y499-F533 HydrophobicContact CE1-CE2 4.3Å; Y499-F533 HydrophobicContact CE1-CZ 4.32Å; V512-F533 HydrophobicContact CG1-CD2 3.81Å; V512-F533 HydrophobicContact CG1-CE1 4.34Å; V512-F533 HydrophobicContact CG1-CE2 3.47Å; V512-F533 VanDerWaalsContact CG1-CE2 3.47Å; V512-F533 HydrophobicContact CG1-CG 4.36Å; V512-F533 HydrophobicContact CG1-CZ 3.76Å; V512-F533 HydrophobicContact CG2-CD1 4.39Å; V512-F533 HydrophobicContact CG2-CE1 4.02Å; V512-F533 HydrophobicContact CG2-CZ 4.12Å; H517-F533 WeakPolarHBondContact O-CE2 3.48Å; Y519-F533 HydrophobicContact CD1-CB 4.28Å; Y519-F533 HydrophobicContact CD1-CD2 4.33Å; Y519-F533 AromaticContact CD2-CD2 3.88Å; Y519-F533 HydrophobicContact CD2-CD2 3.88Å; Y519-F533 HydrophobicContact CD2-CE2 4.38Å; Y519-F533 HydrophobicContact CE1-CB 4.03Å; Y519-F533 HydrophobicContact CE1-CD2 4.41Å; Y519-F533 AromaticContact CE2-CD2 3.96Å; Y519-F533 HydrophobicContact CE2-CD2 3.96Å; Y519-F533 HydrophobicContact CE2-CE2 4.5Å; Y519-F533 HydrophobicContact CG-CD2 4.06Å; F533-I535 HydrophobicContact CD1-CG1 4.33Å; F533-I535 HydrophobicContact CE1-CG1 4.03Å; F533-T550 WeakPolarHBondContact O-CA 3.38Å; F533-K551 PolarHBondContact N-O 2.83Å; F533-K551 PolarHBondContact O-N 2.9Å |
| 534 | S | 93.6 | Very high | 87.3 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 127.8 | -176 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | T549 T550 | S534-T549 WeakPolarHBondContact CA-O 3.38Å; S534-T550 WeakPolarHBondContact CB-OG1 3.33Å; S534-T550 WeakPolarHBondContact OG-CB 3.33Å; S534-T550 VanDerWaalsContact OG-CG2 3.24Å; S534-T550 WeakPolarHBondContact OG-CG2 3.3Å; S534-T550 PolarHBondContact OG-OG1 3.48Å |
| 535 | I | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.8 | 166.4 | -56.7 | 178.4 | 0 | 0 | 0 | 107.7 | F458 F469 F482 L510 F533 S548 T549 | F458-I535 HydrophobicContact CD1-CD1 4.36Å; F458-I535 HydrophobicContact CD2-CD1 4.5Å; F458-I535 HydrophobicContact CD2-CG2 4.39Å; F458-I535 HydrophobicContact CE1-CD1 4.33Å; F458-I535 HydrophobicContact CE2-CD1 4.49Å; F458-I535 HydrophobicContact CE2-CG2 3.84Å; F458-I535 HydrophobicContact CG-CD1 4.45Å; F458-I535 HydrophobicContact CZ-CD1 4.41Å; F458-I535 HydrophobicContact CZ-CG2 4.25Å; F469-I535 HydrophobicContact CB-CD1 3.74Å; F469-I535 HydrophobicContact CD1-CD1 3.49Å; F469-I535 VanDerWaalsContact CD1-CD1 3.49Å; F469-I535 HydrophobicContact CD1-CG1 4.14Å; F469-I535 HydrophobicContact CD2-CD1 3.93Å; F469-I535 HydrophobicContact CE1-CD1 4.03Å; F469-I535 HydrophobicContact CE1-CG1 4.18Å; F469-I535 HydrophobicContact CE2-CD1 4.41Å; F469-I535 HydrophobicContact CG-CD1 3.45Å; F469-I535 VanDerWaalsContact CG-CD1 3.45Å; F469-I535 HydrophobicContact CG-CG1 4.41Å; F469-I535 HydrophobicContact CZ-CD1 4.47Å; F469-I535 HydrophobicContact CZ-CG1 4.48Å; F482-I535 HydrophobicContact CB-CG2 4.45Å; L510-I535 HydrophobicContact CD2-CD1 3.83Å; F533-I535 HydrophobicContact CD1-CG1 4.33Å; F533-I535 HydrophobicContact CE1-CG1 4.03Å; I535-S548 CarbonylContact O-C 3.58Å; I535-S548 VanDerWaalsContact O-CA 3.28Å; I535-S548 WeakPolarHBondContact O-CA 3.32Å; I535-T549 PolarHBondContact N-O 3.39Å; I535-T549 PolarHBondContact O-N 3.01Å |
| 536 | L | 92.8 | Very high | 87.2 | Confident | 32 Ų | 32 | 53.1 Ų | 53.1 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.2 | 177.3 | -50.2 | 175.8 | 0 | 0 | 0 | 109.6 | T483 I545 S548 | T483-L536 PolarHBondContact N-O 2.91Å; T483-L536 PolarHBondContact O-N 2.8Å; T483-L536 WeakPolarHBondContact OG1-CB 3.42Å; T483-L536 PolarHBondContact OG1-O 2.96Å; L536-I545 HydrophobicContact CD1-CD1 4.04Å; L536-S548 VanDerWaalsContact CD2-CB 3.47Å |
| 537 | V | 91.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.1 | 173.8 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | P455 P456 W480 F482 L546 T547 | P455-V537 HydrophobicContact CB-CG1 4.26Å; P456-V537 HydrophobicContact CG-CG1 4.2Å; W480-V537 HydrophobicContact CB-CG1 3.73Å; W480-V537 HydrophobicContact CG-CG1 3.97Å; F482-V537 HydrophobicContact CD1-CG2 4.14Å; F482-V537 HydrophobicContact CE1-CG1 4.46Å; F482-V537 HydrophobicContact CE1-CG2 4.26Å; V537-L546 PolarHBondContact O-N 3.26Å; V537-T547 HydrophobicContact CB-CG2 3.6Å; V537-T547 HydrophobicContact CG1-CG2 4.26Å; V537-T547 HydrophobicContact CG2-CG2 3.74Å; V537-T547 PolarHBondContact N-O 2.85Å; V537-T547 PolarHBondContact O-N 2.95Å |
| 538 | R | 89.1 | Confident | 87.9 | Confident | 45 Ų | 45 | 50.8 Ų | 50.8 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 150.2 | -178.4 | -71.4 | -179.2 | 175.1 | 142.9 | 13.9 | 111.5 | W480 D481 G485 S486 A543 D544 I545 | W480-R538 WeakPolarHBondContact CA-O 3.42Å; D481-R538 PolarHBondContact N-O 2.88Å; D481-R538 PolarHBondContact O-N 2.83Å; G485-R538 PolarHBondContact O-NH2 2.94Å; S486-R538 PolarHBondContact O-NH1 3.36Å; R538-A543 VanDerWaalsContact CD-O 3.26Å; R538-A543 WeakPolarHBondContact CD-O 3.44Å; R538-D544 CarbonylContact C-O 3.56Å; R538-D544 WeakPolarHBondContact CA-O 3.02Å; R538-D544 WeakPolarHBondContact CB-O 3.47Å; R538-I545 HydrophobicContact CG-CG1 4.03Å |
| 539 | D | 82.8 | Confident | 88.2 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 133.4 | 164.1 | -172.3 | -84.6 | 0 | 0 | 0 | 109.5 | E541 T542 A543 D544 L546 | D539-E541 VanDerWaalsContact C-N 3.33Å; D539-E541 PolarHBondContact O-N 2.92Å; D539-E541 WeakPolarHBondContact OD1-CA 3.37Å; D539-E541 PolarHBondContact OD1-N 3.06Å; D539-T542 WeakPolarHBondContact CB-OG1 3.01Å; D539-T542 PolarHBondContact OD1-N 2.85Å; D539-A543 WeakPolarHBondContact O-CA 3.3Å; D539-A543 PolarHBondContact O-N 3.41Å; D539-D544 PolarHBondContact N-O 2.95Å; D539-L546 HydrophobicContact CB-CD1 4.07Å; D539-L546 HydrophobicContact CB-CG 4.36Å |
| 540 | R | 82.8 | Confident | 88.4 | Confident | 132 Ų | 132 | 54.5 Ų | 54.5 | 50% | 0.498 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -26.9 | -175.3 | -176.3 | 171.7 | 176.6 | 179 | -0.2 | 113.4 | Y478 L479 | Y478-R540 VanDerWaalsContact O-CD 3.25Å; Y478-R540 WeakPolarHBondContact O-CD 3.31Å; Y478-R540 PolarHBondContact O-NH1 2.81Å; L479-R540 VanDerWaalsContact O-CB 3.24Å; L479-R540 WeakPolarHBondContact O-CB 3.43Å; L479-R540 PolarHBondContact O-N 3.23Å |
| 541 | E | 81.1 | Confident | 88.6 | Confident | 141 Ų | 141 | 55.6 Ų | 55.6 | 66% | 0.659 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -48.2 | 179.7 | -69.8 | -172.8 | -179.1 | 0 | 0 | 112 | K417 D539 | K417-E541 IonicContact NZ-OE1 3.61Å; K417-E541 PolarHBondContact NZ-OE1 2.86Å; K417-E541 IonicContact NZ-OE2 3.48Å; K417-E541 PolarHBondContact NZ-OE2 3.11Å; D539-E541 VanDerWaalsContact C-N 3.33Å; D539-E541 PolarHBondContact O-N 2.92Å; D539-E541 WeakPolarHBondContact OD1-CA 3.37Å; D539-E541 PolarHBondContact OD1-N 3.06Å |
| 542 | T | 82.5 | Confident | 88.8 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -17.2 | -174.6 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | D539 D544 | D539-T542 WeakPolarHBondContact CB-OG1 3.01Å; D539-T542 PolarHBondContact OD1-N 2.85Å; T542-D544 VanDerWaalsContact CB-OD2 3.31Å; T542-D544 WeakPolarHBondContact CB-OD2 3.37Å; T542-D544 PolarHBondContact O-N 2.02Å; T542-D544 WeakPolarHBondContact OG1-CB 3.4Å; T542-D544 VanDerWaalsContact OG1-CG 3.23Å; T542-D544 PolarHBondContact OG1-N 3.34Å; T542-D544 PolarHBondContact OG1-OD2 2.87Å |
| 543 | A | 80.6 | Confident | 88.7 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 50% | 0.504 | 31% | 0.314 | S | S | . | . | trans | 62.4 | 12.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R538 D539 | R538-A543 VanDerWaalsContact CD-O 3.26Å; R538-A543 WeakPolarHBondContact CD-O 3.44Å; D539-A543 WeakPolarHBondContact O-CA 3.3Å; D539-A543 PolarHBondContact O-N 3.41Å | ||
| 544 | D | 84.9 | Confident | 88.6 | Confident | 100 Ų | 100 | 63.3 Ų | 63.3 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | trans | -68.6 | 142.2 | 177.1 | -68.3 | -43.9 | 0 | 0 | 0 | 111.1 | R538 D539 T542 L546 | R538-D544 CarbonylContact C-O 3.56Å; R538-D544 WeakPolarHBondContact CA-O 3.02Å; R538-D544 WeakPolarHBondContact CB-O 3.47Å; D539-D544 PolarHBondContact N-O 2.95Å; T542-D544 VanDerWaalsContact CB-OD2 3.31Å; T542-D544 WeakPolarHBondContact CB-OD2 3.37Å; T542-D544 PolarHBondContact O-N 2.02Å; T542-D544 WeakPolarHBondContact OG1-CB 3.4Å; T542-D544 VanDerWaalsContact OG1-CG 3.23Å; T542-D544 PolarHBondContact OG1-N 3.34Å; T542-D544 PolarHBondContact OG1-OD2 2.87Å; D544-L546 PolarHBondContact O-N 2.81Å | ||
| 545 | I | 85.1 | Confident | 88.3 | Confident | 98 Ų | 98 | 61.7 Ų | 61.7 | 50% | 0.503 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 111.9 | 176.5 | -59.9 | 167 | 0 | 0 | 0 | 108.4 | L536 R538 | L536-I545 HydrophobicContact CD1-CD1 4.04Å; R538-I545 HydrophobicContact CG-CG1 4.03Å |
| 546 | L | 84 | Confident | 87.8 | Confident | 86 Ų | 86 | 68 Ų | 68 | 45% | 0.45 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -43.7 | 179.1 | -62.1 | 177.8 | 0 | 0 | 0 | 111.5 | P455 V537 D539 D544 | P455-L546 HydrophobicContact CG-CB 4.13Å; P455-L546 HydrophobicContact CG-CD1 4.19Å; V537-L546 PolarHBondContact O-N 3.26Å; D539-L546 HydrophobicContact CB-CD1 4.07Å; D539-L546 HydrophobicContact CB-CG 4.36Å; D544-L546 PolarHBondContact O-N 2.81Å |
| 547 | T | 87.6 | Confident | 86.6 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 170.8 | 178.4 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | P455 V537 | P455-T547 HydrophobicContact CB-CG2 3.64Å; V537-T547 HydrophobicContact CB-CG2 3.6Å; V537-T547 HydrophobicContact CG1-CG2 4.26Å; V537-T547 HydrophobicContact CG2-CG2 3.74Å; V537-T547 PolarHBondContact N-O 2.85Å; V537-T547 PolarHBondContact O-N 2.95Å |
| 548 | S | 90.6 | Very high | 85.7 | Confident | 58 Ų | 58 | 72.4 Ų | 72.4 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 140.6 | 173.8 | 68.5 | 0 | 0 | 0 | 0 | 111.2 | I535 L536 | I535-S548 CarbonylContact O-C 3.58Å; I535-S548 VanDerWaalsContact O-CA 3.28Å; I535-S548 WeakPolarHBondContact O-CA 3.32Å; L536-S548 VanDerWaalsContact CD2-CB 3.47Å |
| 549 | T | 92.4 | Very high | 85.2 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 12% | 0.123 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 106.1 | 168.5 | -49.6 | 0 | 0 | 0 | 0 | 108.7 | F458 V460 F469 S534 I535 | F458-T549 HydrophobicContact CB-CG2 4.03Å; F458-T549 PolarHBondContact N-OG1 3.05Å; V460-T549 HydrophobicContact CG2-CG2 3.44Å; V460-T549 VanDerWaalsContact CG2-CG2 3.44Å; F469-T549 HydrophobicContact CD1-CG2 4.41Å; F469-T549 HydrophobicContact CE1-CG2 4.29Å; S534-T549 WeakPolarHBondContact CA-O 3.38Å; I535-T549 PolarHBondContact N-O 3.39Å; I535-T549 PolarHBondContact O-N 3.01Å |
| 550 | T | 93 | Very high | 85.4 | Confident | 71 Ų | 71 | 72.3 Ų | 72.3 | 44% | 0.436 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.2 | 179 | -62.4 | 0 | 0 | 0 | 0 | 110.2 | T532 F533 S534 | T532-T550 HydrophobicContact CG2-CG2 3.56Å; F533-T550 WeakPolarHBondContact O-CA 3.38Å; S534-T550 WeakPolarHBondContact CB-OG1 3.33Å; S534-T550 WeakPolarHBondContact OG-CB 3.33Å; S534-T550 VanDerWaalsContact OG-CG2 3.24Å; S534-T550 WeakPolarHBondContact OG-CG2 3.3Å; S534-T550 PolarHBondContact OG-OG1 3.48Å |
| 551 | K | 94.4 | Very high | 85.6 | Confident | 73 Ų | 73 | 67.4 Ų | 67.4 | 32% | 0.317 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.9 | 176.3 | -172.4 | 74.9 | 174.1 | -165.9 | 0 | 110.5 | V460 C462 I467 F469 T532 F533 | V460-K551 HydrophobicContact CB-CB 4.31Å; V460-K551 HydrophobicContact CB-CD 4.23Å; V460-K551 HydrophobicContact CB-CG 4.31Å; V460-K551 HydrophobicContact CG1-CB 3.6Å; V460-K551 HydrophobicContact CG1-CD 4.09Å; V460-K551 HydrophobicContact CG1-CG 3.63Å; C462-K551 WeakPolarHBondContact SG-CE 3.46Å; I467-K551 HydrophobicContact CD1-CB 4.45Å; I467-K551 HydrophobicContact CD1-CG 4.5Å; I467-K551 HydrophobicContact CG2-CB 4.37Å; I467-K551 HydrophobicContact CG2-CG 4.33Å; F469-K551 HydrophobicContact CZ-CB 4.48Å; T532-K551 CarbonylContact C-O 3.5Å; T532-K551 VanDerWaalsContact CA-O 3.28Å; T532-K551 WeakPolarHBondContact CA-O 3.44Å; F533-K551 PolarHBondContact N-O 2.83Å; F533-K551 PolarHBondContact O-N 2.9Å |
| 552 | T | 94 | Very high | 85.9 | Confident | 68 Ų | 68 | 62.1 Ų | 62.1 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.2 | 170.3 | -57.1 | 0 | 0 | 0 | 0 | 108.7 | L530 G531 T532 | L530-T552 HydrophobicContact CB-CG2 3.98Å; L530-T552 HydrophobicContact CD1-CG2 4.46Å; L530-T552 HydrophobicContact CD2-CG2 4.26Å; L530-T552 HydrophobicContact CG-CG2 4.47Å; G531-T552 WeakPolarHBondContact O-CA 3.45Å; T532-T552 WeakPolarHBondContact CG2-OG1 3.4Å; T532-T552 WeakPolarHBondContact OG1-CG2 3.21Å; T532-T552 PolarHBondContact OG1-OG1 3.4Å |
| 553 | C | 92.7 | Very high | 86.2 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.027 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.6 | 179.7 | -58.3 | 0 | 0 | 0 | 0 | 109.7 | C462 I467 L530 G531 F555 | C462-C553 HydrophobicContact CB-CB 3.71Å; C462-C553 WeakPolarHBondContact CB-SG 3.37Å; C462-C553 WeakPolarHBondContact SG-CB 3.49Å; C462-C553 CovalentContact SG-SG 2.02Å; C462-C553 PolarHBondContact SG-SG 2.71Å; I467-C553 HydrophobicContact CD1-CB 4.35Å; I467-C553 HydrophobicContact CG1-CB 4.42Å; I467-C553 VanDerWaalsContact CG1-SG 3.59Å; L530-C553 WeakPolarHBondContact CA-O 3.29Å; G531-C553 PolarHBondContact N-O 2.96Å; G531-C553 PolarHBondContact O-N 3.23Å; C553-F555 HydrophobicContact CB-CD2 4.32Å; C553-F555 HydrophobicContact CB-CE1 4.29Å; C553-F555 HydrophobicContact CB-CE2 3.53Å; C553-F555 HydrophobicContact CB-CZ 3.52Å; C553-F555 WeakPolarHBondContact O-CD2 3.21Å |
| 554 | L | 90.9 | Very high | 86.4 | Confident | 116 Ų | 116 | 56.1 Ų | 56.1 | 61% | 0.607 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 125.4 | 172 | 178.4 | 66.8 | 0 | 0 | 0 | 108.8 | L530 | L530-L554 HydrophobicContact CD2-CB 3.94Å; L530-L554 HydrophobicContact CD2-CD1 3.86Å |
| 555 | F | 88.6 | Confident | 86.3 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.035 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.7 | 178.6 | -61.1 | -81.2 | 0 | 0 | 0 | 110.4 | T463 G466 I467 L514 G528 F529 C553 | T463-F555 WeakPolarHBondContact O-CE1 3.39Å; G466-F555 WeakPolarHBondContact O-CE1 3.48Å; I467-F555 HydrophobicContact CG1-CZ 4.01Å; L514-F555 HydrophobicContact CD1-CB 4.3Å; L514-F555 HydrophobicContact CD1-CD1 3.73Å; L514-F555 HydrophobicContact CD1-CE1 4.18Å; L514-F555 HydrophobicContact CD1-CG 4.01Å; L514-F555 HydrophobicContact CD2-CD1 3.94Å; L514-F555 HydrophobicContact CD2-CD2 3.7Å; L514-F555 HydrophobicContact CD2-CE1 3.9Å; L514-F555 HydrophobicContact CD2-CE2 3.67Å; L514-F555 HydrophobicContact CD2-CG 3.82Å; L514-F555 HydrophobicContact CD2-CZ 3.76Å; L514-F555 HydrophobicContact CG-CD1 4.16Å; L514-F555 HydrophobicContact CG-CE1 4.15Å; L514-F555 HydrophobicContact CG-CG 4.44Å; L514-F555 HydrophobicContact CG-CZ 4.44Å; G528-F555 CarbonylContact C-O 3.49Å; G528-F555 WeakPolarHBondContact CA-O 3.5Å; F529-F555 HydrophobicContact CD2-CB 4.29Å; F529-F555 HydrophobicContact CD2-CD2 4.31Å; F529-F555 HydrophobicContact CE1-CB 4.19Å; F529-F555 HydrophobicContact CE2-CB 3.76Å; F529-F555 AromaticContact CE2-CD2 3.78Å; F529-F555 HydrophobicContact CE2-CD2 3.78Å; F529-F555 HydrophobicContact CE2-CG 4.09Å; F529-F555 HydrophobicContact CZ-CB 3.71Å; F529-F555 HydrophobicContact CZ-CD2 4.46Å; F529-F555 HydrophobicContact CZ-CG 4.34Å; F529-F555 PolarHBondContact N-O 2.77Å; F529-F555 PolarHBondContact O-N 2.9Å; C553-F555 HydrophobicContact CB-CD2 4.32Å; C553-F555 HydrophobicContact CB-CE1 4.29Å; C553-F555 HydrophobicContact CB-CE2 3.53Å; C553-F555 HydrophobicContact CB-CZ 3.52Å; C553-F555 WeakPolarHBondContact O-CD2 3.21Å |
| 556 | N | 82.4 | Confident | 86.2 | Confident | 131 Ų | 131 | 54 Ų | 54 | 70% | 0.701 | 30% | 0.303 | S | S | * | . | trans | -95.1 | 97.2 | 176 | -63 | -7.4 | 0 | 0 | 0 | 107.7 | N527 | N527-N556 PolarHBondContact O-OD1 2.73Š| ||
| 557 | A | 67.8 | Low | 86.1 | Confident | 21 Ų | 21 | 50 Ų | 50 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | trans | -101.5 | 130.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | F529 E559 F560 R604 | F529-A557 HydrophobicContact CD1-CB 4.21Å; F529-A557 HydrophobicContact CE1-CB 3.52Å; F529-A557 HydrophobicContact CZ-CB 4.49Å; A557-E559 WeakPolarHBondContact CB-O 3.47Å; A557-F560 HydrophobicContact CB-CB 4.42Å; A557-R604 PolarHBondContact O-NH2 3.27Å | ||
| 558 | T | 71.5 | Confident | 86.2 | Confident | 104 Ų | 104 | 51.9 Ų | 51.9 | 64% | 0.638 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -65 | -44 | 168.4 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | R604 | T558-R604 PolarHBondContact O-NH2 3.12Š|
| 559 | E | 80.1 | Confident | 86.2 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 41% | 0.407 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -127.6 | 137.7 | 175.9 | -59.7 | -172.7 | 162.8 | 0 | 0 | 111 | A557 V572 V573 I681 | A557-E559 WeakPolarHBondContact CB-O 3.47Å; E559-V572 CarbonylContact C-O 3.27Å; E559-V572 WeakPolarHBondContact CA-O 3.46Å; E559-V573 HydrophobicContact CG-CG2 4.19Å; E559-I681 HydrophobicContact CB-CD1 4.09Å |
| 560 | F | 85.9 | Confident | 86.1 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 134.5 | 177.8 | 172.1 | -91 | 0 | 0 | 0 | 108.6 | F515 Y521 I524 F529 A557 M562 T570 V571 V572 | F515-F560 AromaticContact CE1-CD2 3.54Å; F515-F560 HydrophobicContact CE1-CD2 3.54Å; F515-F560 AromaticContact CE1-CE2 3.68Å; F515-F560 HydrophobicContact CE1-CE2 3.68Å; F515-F560 AromaticContact CZ-CD2 4Å; F515-F560 HydrophobicContact CZ-CD2 4Å; Y521-F560 HydrophobicContact CD1-CE2 4.46Å; Y521-F560 HydrophobicContact CG-CE2 4.27Å; Y521-F560 HydrophobicContact CG-CZ 4.38Å; I524-F560 HydrophobicContact CD1-CE1 3.67Å; I524-F560 HydrophobicContact CD1-CZ 3.72Å; I524-F560 HydrophobicContact CG1-CE1 4.02Å; I524-F560 HydrophobicContact CG1-CZ 3.97Å; I524-F560 HydrophobicContact CG2-CD1 3.89Å; I524-F560 HydrophobicContact CG2-CE1 3.8Å; I524-F560 HydrophobicContact CG2-CZ 4.46Å; F529-F560 AromaticContact CD1-CD2 3.56Å; F529-F560 HydrophobicContact CD1-CD2 3.56Å; F529-F560 AromaticContact CD1-CE2 3.91Å; F529-F560 HydrophobicContact CD1-CE2 3.91Å; F529-F560 HydrophobicContact CD1-CG 4.22Å; F529-F560 HydrophobicContact CD2-CE2 4.28Å; F529-F560 HydrophobicContact CE1-CB 4.43Å; F529-F560 AromaticContact CE1-CD2 3.32Å; F529-F560 HydrophobicContact CE1-CD2 3.32Å; F529-F560 AromaticContact CE1-CE2 3.85Å; F529-F560 HydrophobicContact CE1-CE2 3.85Å; F529-F560 HydrophobicContact CE1-CG 4.21Å; F529-F560 HydrophobicContact CE2-CD2 4.5Å; F529-F560 HydrophobicContact CE2-CE2 4.26Å; F529-F560 HydrophobicContact CG-CD2 4.24Å; F529-F560 HydrophobicContact CG-CE2 4.11Å; F529-F560 AromaticContact CZ-CD2 3.85Å; F529-F560 HydrophobicContact CZ-CD2 3.85Å; F529-F560 HydrophobicContact CZ-CE2 4.04Å; A557-F560 HydrophobicContact CB-CB 4.42Å; F560-M562 HydrophobicContact CD1-CB 4.44Å; F560-M562 HydrophobicContact CE1-CB 3.42Å; F560-M562 VanDerWaalsContact CE1-CB 3.42Å; F560-M562 HydrophobicContact CE2-CB 4.47Å; F560-M562 HydrophobicContact CZ-CB 3.46Å; F560-M562 VanDerWaalsContact CZ-CB 3.46Å; F560-M562 HydrophobicContact CZ-CG 4.26Å; F560-M562 HydrophobicContact CZ-SD 4.05Å; F560-T570 HydrophobicContact CE1-CG2 4.35Å; F560-V571 CarbonylContact O-C 3.59Å; F560-V571 WeakPolarHBondContact O-CA 3.38Å; F560-V571 WeakPolarHBondContact O-CG2 3.09Å; F560-V572 HydrophobicContact CB-CB 4.03Å; F560-V572 HydrophobicContact CB-CG2 4.36Å; F560-V572 PolarHBondContact N-O 2.82Å; F560-V572 PolarHBondContact O-N 2.89Å; F560-V572 VanDerWaalsContact O-O 3.1Å |
| 561 | I | 87.4 | Confident | 85.9 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 15% | 0.149 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 125.7 | 169.1 | -174.3 | 164.8 | 0 | 0 | 0 | 109.7 | T570 V571 V653 I681 | I561-T570 WeakPolarHBondContact CA-O 3.25Å; I561-V571 HydrophobicContact CB-CG2 4.36Å; I561-V571 HydrophobicContact CG1-CB 4.44Å; I561-V653 HydrophobicContact CD1-CB 4.27Å; I561-I681 HydrophobicContact CB-CD1 4.16Å; I561-I681 HydrophobicContact CB-CG1 3.98Å; I561-I681 HydrophobicContact CD1-CG1 4.07Å; I561-I681 HydrophobicContact CG2-CD1 4.36Å; I561-I681 HydrophobicContact CG2-CG1 4.01Å |
| 562 | M | 86.8 | Confident | 85.7 | Confident | 30 Ų | 30 | 41.9 Ų | 41.9 | 15% | 0.148 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.1 | 178.1 | -177.9 | -178.8 | 73.8 | 0 | 0 | 110.2 | Y521 I524 F560 T570 | Y521-M562 HydrophobicContact CD2-SD 4.02Å; Y521-M562 HydrophobicContact CG-SD 4.43Å; I524-M562 HydrophobicContact CD1-CE 3.52Å; I524-M562 HydrophobicContact CD1-SD 4.17Å; F560-M562 HydrophobicContact CD1-CB 4.44Å; F560-M562 HydrophobicContact CE1-CB 3.42Å; F560-M562 VanDerWaalsContact CE1-CB 3.42Å; F560-M562 HydrophobicContact CE2-CB 4.47Å; F560-M562 HydrophobicContact CZ-CB 3.46Å; F560-M562 VanDerWaalsContact CZ-CB 3.46Å; F560-M562 HydrophobicContact CZ-CG 4.26Å; F560-M562 HydrophobicContact CZ-SD 4.05Å; M562-T570 PolarHBondContact N-O 2.84Å; M562-T570 PolarHBondContact O-N 2.77Å |
| 563 | C | 88.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 92.8 | -179.9 | -55.8 | 0 | 0 | 0 | 0 | 108.2 | C655 Y657 G677 G679 | C563-C655 HydrophobicContact CB-CB 3.64Å; C563-C655 WeakPolarHBondContact CB-SG 3.29Å; C563-C655 WeakPolarHBondContact SG-CA 3.36Å; C563-C655 WeakPolarHBondContact SG-CB 3.48Å; C563-C655 CovalentContact SG-SG 2.01Å; C563-C655 PolarHBondContact SG-SG 2.88Å; C563-Y657 WeakPolarHBondContact CA-OH 3.44Å; C563-Y657 HydrophobicContact CB-CE2 4.25Å; C563-Y657 WeakPolarHBondContact CB-OH 3.35Å; C563-Y657 PolarHBondContact O-OH 2.78Å; C563-G677 WeakPolarHBondContact CB-O 3.42Å; C563-G677 PolarHBondContact O-N 3.26Å; C563-G679 WeakPolarHBondContact SG-CA 3.41Å; C563-G679 PolarHBondContact SG-N 2.88Å |
| 564 | S | 84.9 | Confident | 85 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 9% | 0.091 | 22% | 0.217 | C | C | . | . | trans | -74.6 | 158.7 | -171.4 | 63.3 | 0 | 0 | 0 | 0 | 112.8 | N566 G567 W568 Y657 | S564-N566 VanDerWaalsContact C-N 3.26Å; S564-N566 VanDerWaalsContact CB-OD1 3.23Å; S564-N566 WeakPolarHBondContact CB-OD1 3.35Å; S564-N566 PolarHBondContact O-N 2.69Å; S564-N566 PolarHBondContact OG-OD1 2.86Å; S564-G567 PolarHBondContact O-N 2.79Å; S564-G567 VanDerWaalsContact O-N 3.15Å; S564-W568 PolarHBondContact N-O 2.83Å; S564-W568 WeakPolarHBondContact OG-CA 3.13Å; S564-W568 WeakPolarHBondContact OG-CB 3.27Å; S564-W568 PolarHBondContact OG-N 3.42Å; S564-W568 PolarHBondContact OG-O 3.27Å; S564-W568 VanDerWaalsContact OG-O 3.05Å; S564-Y657 PolarHBondContact N-OH 2.88Å; S564-Y657 PolarHBondContact O-OH 3.21Å | ||
| 565 | T | 82.9 | Confident | 84.5 | Confident | 56 Ų | 56 | 35.5 Ų | 35.5 | 34% | 0.344 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -28.6 | 175.4 | 46.4 | 0 | 0 | 0 | 0 | 113.4 | G567 S673 K675 E676 | T565-G567 PolarHBondContact O-N 2.72Å; T565-S673 VanDerWaalsContact CB-O 3.23Å; T565-S673 WeakPolarHBondContact CB-O 3.44Å; T565-S673 WeakPolarHBondContact CG2-O 3.34Å; T565-S673 PolarHBondContact O-N 3.21Å; T565-K675 VanDerWaalsContact CG2-C 3.47Å; T565-E676 HydrophobicContact CG2-CG 4.06Å |
| 566 | N | 82.6 | Confident | 84 | Confident | 97 Ų | 97 | 37.8 Ų | 37.8 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 8.6 | 175.8 | 70.2 | -7.2 | 0 | 0 | 0 | 113.8 | S564 | S564-N566 VanDerWaalsContact C-N 3.26Å; S564-N566 VanDerWaalsContact CB-OD1 3.23Å; S564-N566 WeakPolarHBondContact CB-OD1 3.35Å; S564-N566 PolarHBondContact O-N 2.69Å; S564-N566 PolarHBondContact OG-OD1 2.86Å |
| 567 | G | 83.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 80.5 | 34 | 170 | 0 | 0 | 0 | 0 | 0 | 115.1 | S564 T565 P610 L611 | S564-G567 PolarHBondContact O-N 2.79Å; S564-G567 VanDerWaalsContact O-N 3.15Å; T565-G567 PolarHBondContact O-N 2.72Å; G567-P610 WeakPolarHBondContact O-CA 3.39Å; G567-L611 WeakPolarHBondContact O-CG 3.48Å; G567-L611 PolarHBondContact O-N 3.17Å |
| 568 | W | 88.4 | Confident | 83.7 | Confident | 96 Ų | 96 | 35.3 Ų | 35.3 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 136.8 | 169.9 | -73.5 | 71 | 0 | 0 | 0 | 110.3 | S564 P610 | S564-W568 PolarHBondContact N-O 2.83Å; S564-W568 WeakPolarHBondContact OG-CA 3.13Å; S564-W568 WeakPolarHBondContact OG-CB 3.27Å; S564-W568 PolarHBondContact OG-N 3.42Å; S564-W568 PolarHBondContact OG-O 3.27Å; S564-W568 VanDerWaalsContact OG-O 3.05Å; W568-P610 HydrophobicContact CD2-CG 4.39Å; W568-P610 HydrophobicContact CE3-CG 4.48Å; W568-P610 HydrophobicContact CH2-CG 4.02Å; W568-P610 HydrophobicContact CZ2-CG 3.91Å; W568-P610 HydrophobicContact CZ3-CG 4.3Å |
| 569 | M | 90.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.4 | 166.9 | -176.3 | -178.1 | -68.8 | 0 | 0 | 107.6 | S608 F609 L611 V653 C655 | M569-S608 VanDerWaalsContact O-CA 3.3Å; M569-S608 WeakPolarHBondContact O-CA 3.43Å; M569-F609 HydrophobicContact CB-CE1 4.31Å; M569-F609 HydrophobicContact CB-CE2 4.2Å; M569-F609 HydrophobicContact CB-CZ 4.05Å; M569-F609 HydrophobicContact CG-CE1 4.29Å; M569-F609 HydrophobicContact CG-CZ 4.05Å; M569-F609 PolarHBondContact N-O 2.71Å; M569-F609 PolarHBondContact O-N 3.38Å; M569-F609 HydrophobicContact SD-CE1 4.08Å; M569-F609 HydrophobicContact SD-CE2 4.07Å; M569-F609 HydrophobicContact SD-CZ 3.39Å; M569-F609 WeakPolarHBondContact SD-CZ 3.49Å; M569-L611 HydrophobicContact CB-CD2 3.79Å; M569-L611 HydrophobicContact CE-CD2 3.79Å; M569-V653 HydrophobicContact SD-CB 4.01Å; M569-V653 HydrophobicContact SD-CG2 3.64Å; M569-C655 HydrophobicContact CE-CB 3.61Å; M569-C655 WeakPolarHBondContact CE-SG 3.38Å |
| 570 | T | 90.1 | Very high | 82.8 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 7% | 0.067 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124.6 | 171.8 | -59.3 | 0 | 0 | 0 | 0 | 108.5 | I524 F560 I561 M562 L606 F607 S608 | I524-T570 HydrophobicContact CD1-CG2 4.15Å; I524-T570 HydrophobicContact CG2-CG2 3.96Å; F560-T570 HydrophobicContact CE1-CG2 4.35Å; I561-T570 WeakPolarHBondContact CA-O 3.25Å; M562-T570 PolarHBondContact N-O 2.84Å; M562-T570 PolarHBondContact O-N 2.77Å; T570-L606 HydrophobicContact CG2-CD1 3.81Å; T570-F607 CarbonylContact C-O 3.59Å; T570-F607 WeakPolarHBondContact CA-O 3.38Å; T570-S608 PolarHBondContact OG1-OG 2.8Å; T570-S608 VanDerWaalsContact OG1-OG 3.08Å |
| 571 | V | 90.3 | Very high | 81.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 127.3 | -177.3 | 60.3 | 0 | 0 | 0 | 0 | 110 | F560 I561 V573 L606 F607 I631 V653 I681 | F560-V571 CarbonylContact O-C 3.59Å; F560-V571 WeakPolarHBondContact O-CA 3.38Å; F560-V571 WeakPolarHBondContact O-CG2 3.09Å; I561-V571 HydrophobicContact CB-CG2 4.36Å; I561-V571 HydrophobicContact CG1-CB 4.44Å; V571-V573 HydrophobicContact CG2-CB 4.21Å; V571-V573 HydrophobicContact CG2-CG1 4.39Å; V571-L606 WeakPolarHBondContact O-CA 3.28Å; V571-F607 HydrophobicContact CG1-CB 3.76Å; V571-F607 PolarHBondContact N-O 2.85Å; V571-F607 PolarHBondContact O-N 3.44Å; V571-I631 HydrophobicContact CG1-CD1 4.19Å; V571-V653 HydrophobicContact CG1-CG1 4.35Å; V571-V653 HydrophobicContact CG2-CG1 3.98Å; V571-I681 HydrophobicContact CG2-CD1 3.78Å; V571-I681 HydrophobicContact CG2-CG1 4.15Å |
| 572 | V | 88.9 | Confident | 80 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.5 | 163.3 | -179.1 | 0 | 0 | 0 | 0 | 106.1 | I524 L526 E559 F560 V605 L606 | I524-V572 HydrophobicContact CG2-CG2 3.96Å; L526-V572 HydrophobicContact CD2-CG1 4.07Å; E559-V572 CarbonylContact C-O 3.27Å; E559-V572 WeakPolarHBondContact CA-O 3.46Å; F560-V572 HydrophobicContact CB-CB 4.03Å; F560-V572 HydrophobicContact CB-CG2 4.36Å; F560-V572 PolarHBondContact N-O 2.82Å; F560-V572 PolarHBondContact O-N 2.89Å; F560-V572 VanDerWaalsContact O-O 3.1Å; V572-V605 WeakPolarHBondContact CA-O 3.32Å; V572-L606 HydrophobicContact CG2-CB 4.42Å; V572-L606 HydrophobicContact CG2-CD1 3.57Å |
| 573 | V | 87.4 | Confident | 79 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 146.3 | 179.9 | 66.8 | 0 | 0 | 0 | 0 | 110.6 | E559 V571 L575 R604 V605 I631 M651 I681 | E559-V573 HydrophobicContact CG-CG2 4.19Å; V571-V573 HydrophobicContact CG2-CB 4.21Å; V571-V573 HydrophobicContact CG2-CG1 4.39Å; V573-L575 HydrophobicContact CG1-CD2 4.15Å; V573-L575 HydrophobicContact CG1-CG 4.19Å; V573-R604 WeakPolarHBondContact O-CA 3.5Å; V573-V605 HydrophobicContact CG1-CG2 3.88Å; V573-V605 PolarHBondContact N-O 2.85Å; V573-V605 VanDerWaalsContact N-O 3.1Å; V573-V605 PolarHBondContact O-N 2.71Å; V573-I631 HydrophobicContact CG1-CD1 3.86Å; V573-M651 HydrophobicContact CB-SD 4.42Å; V573-M651 HydrophobicContact CG1-SD 4.32Å; V573-M651 HydrophobicContact CG2-CE 3.78Å; V573-M651 HydrophobicContact CG2-SD 3.33Å; V573-M651 WeakPolarHBondContact CG2-SD 3.46Å; V573-I681 HydrophobicContact CB-CD1 4.25Å; V573-I681 HydrophobicContact CG2-CD1 4.14Å; V573-I681 HydrophobicContact CG2-CG2 3.84Å |
| 574 | D | 85.7 | Confident | 77.9 | Confident | 48 Ų | 48 | 48 Ų | 48 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 114.7 | 170.8 | -170.6 | -15.7 | 0 | 0 | 0 | 109.5 | S576 T603 R604 | D574-S576 VanDerWaalsContact C-N 3.28Å; D574-S576 PolarHBondContact O-N 2.78Å; D574-S576 WeakPolarHBondContact OD1-CB 3.41Å; D574-S576 PolarHBondContact OD1-N 2.83Å; D574-S576 PolarHBondContact OD1-OG 2.97Å; D574-T603 PolarHBondContact OD1-OG1 2.81Å; D574-T603 VanDerWaalsContact OD1-OG1 3.1Å; D574-R604 HydrophobicContact CB-CG 3.92Å |
| 575 | L | 80.7 | Confident | 77.2 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -87.4 | 5.6 | -178.1 | -65.4 | 167.5 | 0 | 0 | 0 | 113.1 | V573 A577 V578 L579 F588 T603 V605 I631 L633 M651 | V573-L575 HydrophobicContact CG1-CD2 4.15Å; V573-L575 HydrophobicContact CG1-CG 4.19Å; L575-A577 PolarHBondContact O-N 2.96Å; L575-A577 VanDerWaalsContact O-N 3.16Å; L575-V578 PolarHBondContact O-N 2.88Å; L575-L579 PolarHBondContact O-N 2.78Å; L575-F588 HydrophobicContact CD1-CD1 3.61Å; L575-F588 HydrophobicContact CD1-CE1 3.56Å; L575-T603 PolarHBondContact N-O 2.81Å; L575-V605 HydrophobicContact CD1-CG1 4.45Å; L575-V605 HydrophobicContact CD1-CG2 3.61Å; L575-V605 HydrophobicContact CG-CG2 4.27Å; L575-I631 HydrophobicContact CD1-CG2 3.85Å; L575-L633 HydrophobicContact CD1-CD1 4.49Å; L575-M651 HydrophobicContact CD2-CB 3.59Å; L575-M651 HydrophobicContact CD2-CG 4.23Å; L575-M651 HydrophobicContact CD2-SD 3.52Å; L575-M651 VanDerWaalsContact CD2-SD 3.52Å |
| 576 | S | 76.7 | Confident | 76.7 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 39% | 0.392 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -54.8 | -33.5 | 177.4 | -56.5 | 0 | 0 | 0 | 0 | 112.8 | D574 V578 L579 T603 | D574-S576 VanDerWaalsContact C-N 3.28Å; D574-S576 PolarHBondContact O-N 2.78Å; D574-S576 WeakPolarHBondContact OD1-CB 3.41Å; D574-S576 PolarHBondContact OD1-N 2.83Å; D574-S576 PolarHBondContact OD1-OG 2.97Å; S576-V578 PolarHBondContact O-N 2.98Å; S576-L579 PolarHBondContact O-N 2.96Å; S576-T603 WeakPolarHBondContact OG-CB 3.32Å; S576-T603 PolarHBondContact OG-OG1 2.53Å |
| 577 | A | 71.4 | Confident | 76.6 | Confident | 88 Ų | 88 | 51.6 Ų | 51.6 | 73% | 0.727 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -69.6 | -17.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L575 | L575-A577 PolarHBondContact O-N 2.96Å; L575-A577 VanDerWaalsContact O-N 3.16Å |
| 578 | V | 72.2 | Confident | 76.7 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -107.9 | 5.5 | -179.3 | -155.3 | 0 | 0 | 0 | 0 | 110.8 | L575 S576 H649 P683 | L575-V578 PolarHBondContact O-N 2.88Å; S576-V578 PolarHBondContact O-N 2.98Å; V578-H649 HydrophobicContact CG1-CB 4.11Å; V578-H649 WeakPolarHBondContact O-CB 3.38Å; V578-H649 PolarHBondContact O-CD2 2.93Å; V578-P683 HydrophobicContact CG2-CB 4.46Å |
| 579 | L | 69.9 | Low | 76.7 | Confident | 25 Ų | 25 | 48.2 Ų | 48.2 | 13% | 0.131 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -102.8 | 135 | 179.7 | -91.9 | 160.7 | 0 | 0 | 0 | 111.4 | L575 S576 E583 P585 T603 L633 T635 | L575-L579 PolarHBondContact O-N 2.78Å; S576-L579 PolarHBondContact O-N 2.96Å; L579-E583 HydrophobicContact CD2-CB 4.42Å; L579-P585 HydrophobicContact CD1-CG 4.36Å; L579-T603 HydrophobicContact CD1-CG2 3.3Å; L579-L633 HydrophobicContact CD1-CD2 3.87Å; L579-L633 HydrophobicContact CD2-CD2 3.31Å; L579-L633 HydrophobicContact CG-CD2 3.39Å; L579-T635 HydrophobicContact CD2-CG2 4.35Å |
| 580 | P | 63.3 | Low | 76.6 | Confident | 49 Ų | 49 | 48.2 Ų | 48.2 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | trans | -61 | 140.2 | 164.7 | -18.6 | 31.2 | 0 | 0 | 0 | 110.8 | G582 E583 | P580-G582 PolarHBondContact O-N 2.73Å; P580-G582 VanDerWaalsContact O-N 3.09Å; P580-E583 PolarHBondContact O-N 3.26Å | ||
| 581 | S | 56.3 | Low | 76.5 | Confident | 136 Ų | 136 | 51 Ų | 51 | 95% | 0.951 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 114.5 | -176.8 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 582 | G | 59.6 | Low | 76.4 | Confident | 86 Ų | 86 | 54 Ų | 54 | 89% | 0.887 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.8 | -4.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116 | P580 | P580-G582 PolarHBondContact O-N 2.73Å; P580-G582 VanDerWaalsContact O-N 3.09Å |
| 583 | E | 64.8 | Low | 76.1 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 134.5 | 175.1 | -75.9 | -175.9 | -165.4 | 0 | 0 | 112.4 | L579 P580 T635 | L579-E583 HydrophobicContact CD2-CB 4.42Å; P580-E583 PolarHBondContact O-N 3.26Å; E583-T635 VanDerWaalsContact OE2-CB 3.28Å; E583-T635 WeakPolarHBondContact OE2-CB 3.5Å; E583-T635 VanDerWaalsContact OE2-CG2 3.29Å; E583-T635 WeakPolarHBondContact OE2-CG2 3.39Å; E583-T635 PolarHBondContact OE2-OG1 2.81Å |
| 584 | M | 65.6 | Low | 76 | Confident | 167 Ų | 167 | 66.5 Ų | 66.5 | 82% | 0.823 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -98.3 | 130.5 | 168.4 | -79.4 | -161.3 | -170.1 | 0 | 0 | 110.7 | ||
| 585 | P | 71 | Confident | 76.3 | Confident | 25 Ų | 25 | 65.5 Ų | 65.5 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -70 | 137.7 | 176.8 | 26.7 | -32 | 0 | 0 | 0 | 112.2 | L579 F588 L633 | L579-P585 HydrophobicContact CD1-CG 4.36Å; P585-F588 HydrophobicContact CB-CE1 4.2Å; P585-F588 HydrophobicContact CB-CE2 4.05Å; P585-F588 HydrophobicContact CB-CZ 3.76Å; P585-F588 HydrophobicContact CG-CE1 3.96Å; P585-F588 HydrophobicContact CG-CE2 3.76Å; P585-F588 HydrophobicContact CG-CZ 3.23Å; P585-L633 HydrophobicContact CB-CD1 3.18Å; P585-L633 HydrophobicContact CB-CD2 3.99Å; P585-L633 HydrophobicContact CB-CG 3.59Å; P585-L633 HydrophobicContact CG-CD1 3.88Å; P585-L633 HydrophobicContact CG-CG 4.49Å |
| 586 | T | 70.9 | Confident | 76.7 | Confident | 100 Ų | 100 | 69.3 Ų | 69.3 | 61% | 0.613 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -92 | -29.6 | 179.8 | 59.3 | 0 | 0 | 0 | 0 | 112 | D634 | T586-D634 PolarHBondContact N-O 2.89Å; T586-D634 PolarHBondContact OG1-O 2.9Å; T586-D634 VanDerWaalsContact OG1-O 3.12Å |
| 587 | R | 80.9 | Confident | 77.4 | Confident | 116 Ų | 116 | 67.8 Ų | 67.8 | 44% | 0.438 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 139.5 | 179.6 | -171.2 | 178.6 | 178.1 | 174.4 | -2.4 | 111.8 | N593 D634 | R587-N593 PolarHBondContact NH2-O 2.91Å; R587-D634 HydrophobicContact CB-CB 4.12Å; R587-D634 PolarHBondContact O-N 2.64Å |
| 588 | F | 86.1 | Confident | 78.2 | Confident | 16 Ų | 16 | 70 Ų | 70 | 7% | 0.07 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134 | 171 | -57.5 | -98.1 | 0 | 0 | 0 | 109.4 | L575 P585 P597 V600 V605 F607 Y632 L633 | L575-F588 HydrophobicContact CD1-CD1 3.61Å; L575-F588 HydrophobicContact CD1-CE1 3.56Å; P585-F588 HydrophobicContact CB-CE1 4.2Å; P585-F588 HydrophobicContact CB-CE2 4.05Å; P585-F588 HydrophobicContact CB-CZ 3.76Å; P585-F588 HydrophobicContact CG-CE1 3.96Å; P585-F588 HydrophobicContact CG-CE2 3.76Å; P585-F588 HydrophobicContact CG-CZ 3.23Å; F588-P597 HydrophobicContact CB-CG 4.05Å; F588-P597 WeakPolarHBondContact O-CD 3.37Å; F588-V600 HydrophobicContact CD2-CG1 4.25Å; F588-V600 HydrophobicContact CD2-CG2 4.43Å; F588-V600 HydrophobicContact CE2-CG1 3.73Å; F588-V600 HydrophobicContact CZ-CG1 4.39Å; F588-V605 HydrophobicContact CB-CG1 4.33Å; F588-V605 HydrophobicContact CD1-CG1 3.46Å; F588-V605 VanDerWaalsContact CD1-CG1 3.46Å; F588-V605 HydrophobicContact CD2-CG1 3.94Å; F588-V605 HydrophobicContact CE1-CG1 3.48Å; F588-V605 VanDerWaalsContact CE1-CG1 3.48Å; F588-V605 HydrophobicContact CE2-CG1 4.01Å; F588-V605 HydrophobicContact CG-CG1 3.67Å; F588-V605 HydrophobicContact CZ-CG1 3.77Å; F588-F607 HydrophobicContact CB-CE2 4.46Å; F588-F607 HydrophobicContact CB-CZ 4.13Å; F588-Y632 WeakPolarHBondContact CA-O 3.11Å; F588-L633 HydrophobicContact CD1-CD1 3.09Å; F588-L633 HydrophobicContact CE1-CD1 2.97Å; F588-L633 HydrophobicContact CE1-CG 4.43Å; F588-L633 HydrophobicContact CE2-CD1 4.4Å; F588-L633 HydrophobicContact CG-CD1 3.93Å; F588-L633 HydrophobicContact CZ-CD1 3.7Å |
| 589 | H | 87.8 | Confident | 78.9 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 5% | 0.046 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 156.2 | 177 | 61.2 | -78.6 | 0 | 0 | 0 | 112 | N593 C595 Y632 D634 | H589-N593 PolarHBondContact CD2-OD1 2.9Å; H589-N593 PolarHBondContact NE2-OD1 2.96Å; H589-C595 WeakPolarHBondContact CA-O 3.43Å; H589-Y632 PolarHBondContact N-O 2.94Å; H589-Y632 VanDerWaalsContact N-O 3.14Å; H589-Y632 PolarHBondContact O-N 2.87Å; H589-D634 IonicContact CE1-OD1 3.19Å; H589-D634 PolarHBondContact CE1-OD1 2.95Å; H589-D634 IonicContact CE1-OD2 3.32Å; H589-D634 PolarHBondContact CE1-OD2 2.69Å; H589-D634 IonicContact ND1-OD2 3.11Å; H589-D634 PolarHBondContact ND1-OD2 3.49Å |
| 590 | L | 90.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -80.3 | -177.4 | 168.7 | -64.6 | 174.1 | 0 | 0 | 0 | 110.7 | N592 C595 F607 F609 C614 K630 I631 | L590-N592 CarbonylContact O-C 3.48Å; L590-N592 VanDerWaalsContact O-C 3.27Å; L590-N592 PolarHBondContact O-N 3.22Å; L590-C595 HydrophobicContact CB-CB 4.03Å; L590-C595 HydrophobicContact CD1-CB 3.94Å; L590-C595 HydrophobicContact CG-CB 4.28Å; L590-C595 PolarHBondContact N-O 3.15Å; L590-F607 HydrophobicContact CD1-CD1 3.91Å; L590-F607 HydrophobicContact CD1-CE1 4.33Å; L590-F607 HydrophobicContact CD2-CD1 4.03Å; L590-F607 HydrophobicContact CD2-CE1 4.16Å; L590-F607 HydrophobicContact CD2-CG 4.28Å; L590-F607 HydrophobicContact CG-CD1 3.74Å; L590-F607 HydrophobicContact CG-CE1 3.73Å; L590-F607 HydrophobicContact CG-CG 4.48Å; L590-F607 HydrophobicContact CG-CZ 4.47Å; L590-F609 HydrophobicContact CD1-CB 4.28Å; L590-F609 HydrophobicContact CD1-CD1 3.38Å; L590-F609 HydrophobicContact CD1-CD2 3.96Å; L590-F609 HydrophobicContact CD1-CE1 3.51Å; L590-F609 HydrophobicContact CD1-CE2 4.09Å; L590-F609 HydrophobicContact CD1-CG 3.61Å; L590-F609 HydrophobicContact CD1-CZ 3.85Å; L590-F609 HydrophobicContact CD2-CE1 4.04Å; L590-F609 HydrophobicContact CD2-CZ 4.26Å; L590-F609 HydrophobicContact CG-CE1 4.45Å; L590-C614 HydrophobicContact CB-CB 4.25Å; L590-C614 HydrophobicContact CD1-CB 3.64Å; L590-K630 CarbonylContact C-O 3.54Å; L590-K630 WeakPolarHBondContact CA-O 3.39Å; L590-I631 HydrophobicContact CD2-CG1 3.74Å | ||
| 591 | L | 87.8 | Confident | 80.6 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 37% | 0.372 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -52.1 | -32.6 | 177.9 | -169.8 | 73 | 0 | 0 | 0 | 113.2 | G615 T617 N629 K630 Y632 | L591-G615 WeakPolarHBondContact CD2-O 3.47Å; L591-T617 HydrophobicContact CD2-CG2 4.45Å; L591-N629 WeakPolarHBondContact CB-OD1 3.31Å; L591-N629 PolarHBondContact N-OD1 2.85Å; L591-N629 VanDerWaalsContact N-OD1 3.15Å; L591-K630 PolarHBondContact N-O 3Å; L591-Y632 HydrophobicContact CB-CE2 4.33Å; L591-Y632 HydrophobicContact CD1-CE2 3.68Å; L591-Y632 WeakPolarHBondContact CD1-OH 3.44Å |
| 592 | N | 87 | Confident | 81.9 | Confident | 62 Ų | 62 | 72.1 Ų | 72.1 | 33% | 0.332 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -90.1 | 115.7 | 163.9 | -176.1 | -17.7 | 0 | 0 | 0 | 110.1 | L590 F594 C595 C614 | L590-N592 CarbonylContact O-C 3.48Å; L590-N592 VanDerWaalsContact O-C 3.27Å; L590-N592 PolarHBondContact O-N 3.22Å; N592-F594 PolarHBondContact O-N 3.14Å; N592-F594 VanDerWaalsContact OD1-CD2 3.28Å; N592-F594 WeakPolarHBondContact OD1-CD2 3.41Å; N592-F594 PolarHBondContact OD1-N 2.95Å; N592-F594 VanDerWaalsContact OD1-N 3.1Å; N592-C595 WeakPolarHBondContact O-CB 3.39Å; N592-C595 PolarHBondContact O-N 2.9Å; N592-C614 PolarHBondContact N-O 3.26Å |
| 593 | N | 83.3 | Confident | 82.9 | Confident | 80 Ų | 80 | 69.7 Ų | 69.7 | 43% | 0.428 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -13.5 | -174.7 | -59.4 | 24.5 | 0 | 0 | 0 | 114.6 | R587 H589 C595 | R587-N593 PolarHBondContact NH2-O 2.91Å; H589-N593 PolarHBondContact CD2-OD1 2.9Å; H589-N593 PolarHBondContact NE2-OD1 2.96Å; N593-C595 VanDerWaalsContact C-N 3.35Å |
| 594 | F | 85.8 | Confident | 84 | Confident | 185 Ų | 185 | 69.1 Ų | 69.1 | 81% | 0.811 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.9 | 171.5 | -64.1 | -67.7 | 0 | 0 | 0 | 113.3 | N592 V596 | N592-F594 PolarHBondContact O-N 3.14Å; N592-F594 VanDerWaalsContact OD1-CD2 3.28Å; N592-F594 WeakPolarHBondContact OD1-CD2 3.41Å; N592-F594 PolarHBondContact OD1-N 2.95Å; N592-F594 VanDerWaalsContact OD1-N 3.1Å; F594-V596 PolarHBondContact O-N 2.97Å |
| 595 | C | 90.4 | Very high | 85.1 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | trans | -89 | 100.3 | 176.9 | -67.4 | 0 | 0 | 0 | 0 | 110.6 | H589 L590 N592 N593 C614 | H589-C595 WeakPolarHBondContact CA-O 3.43Å; L590-C595 HydrophobicContact CB-CB 4.03Å; L590-C595 HydrophobicContact CD1-CB 3.94Å; L590-C595 HydrophobicContact CG-CB 4.28Å; L590-C595 PolarHBondContact N-O 3.15Å; N592-C595 WeakPolarHBondContact O-CB 3.39Å; N592-C595 PolarHBondContact O-N 2.9Å; N593-C595 VanDerWaalsContact C-N 3.35Å; C595-C614 HydrophobicContact CB-CB 3.64Å; C595-C614 WeakPolarHBondContact CB-SG 3.32Å; C595-C614 WeakPolarHBondContact SG-CA 3.27Å; C595-C614 WeakPolarHBondContact SG-CB 3.44Å; C595-C614 CovalentContact SG-SG 2.04Å; C595-C614 PolarHBondContact SG-SG 2.85Å | ||
| 596 | V | 89.9 | Confident | 86 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 52% | 0.515 | 33% | 0.327 | S | S | . | . | trans | -100.3 | 158.8 | -179.9 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | F594 F607 | F594-V596 PolarHBondContact O-N 2.97Å; V596-F607 VanDerWaalsContact C-CE1 3.43Å | ||
| 597 | P | 90.6 | Very high | 87 | Confident | 24 Ų | 24 | 56 Ų | 56 | 16% | 0.156 | 30% | 0.299 | C | S | . | . | trans | -65.5 | 150.9 | 179.3 | 26.3 | -34.9 | 0 | 0 | 0 | 112.1 | F588 V600 V605 L606 F607 | F588-P597 HydrophobicContact CB-CG 4.05Å; F588-P597 WeakPolarHBondContact O-CD 3.37Å; P597-V600 HydrophobicContact CB-CG2 3.9Å; P597-V600 HydrophobicContact CG-CG2 3.3Å; P597-V605 HydrophobicContact CB-CB 4.28Å; P597-L606 CarbonylContact C-O 3.59Å; P597-L606 WeakPolarHBondContact CA-O 3.46Å; P597-L606 WeakPolarHBondContact CB-O 3.42Å; P597-F607 HydrophobicContact CB-CD1 4.26Å; P597-F607 HydrophobicContact CB-CD2 4.16Å; P597-F607 HydrophobicContact CB-CE1 3.99Å; P597-F607 HydrophobicContact CB-CE2 3.87Å; P597-F607 HydrophobicContact CB-CG 4.36Å; P597-F607 HydrophobicContact CB-CZ 3.79Å; P597-F607 HydrophobicContact CG-CE1 4.42Å; P597-F607 HydrophobicContact CG-CE2 4.42Å; P597-F607 HydrophobicContact CG-CZ 4.05Å; P597-F607 VanDerWaalsContact N-CE1 3.25Å | ||
| 598 | K | 89.4 | Confident | 87.5 | Confident | 136 Ų | 136 | 51.7 Ų | 51.7 | 59% | 0.591 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -72.9 | -32.2 | 173.3 | -75.5 | -167.4 | 176.7 | 168.8 | 0 | 112.6 | L606 S608 | K598-L606 HydrophobicContact CB-CD2 4.26Å; K598-L606 HydrophobicContact CB-CG 4.27Å; K598-L606 PolarHBondContact N-O 2.94Å; K598-S608 VanDerWaalsContact NZ-CB 3.33Å; K598-S608 PolarHBondContact NZ-OG 2.96Å |
| 599 | A | 87.1 | Confident | 87.8 | Confident | 35 Ų | 35 | 51.2 Ų | 51.2 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 148.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L526 L606 | L526-A599 HydrophobicContact CD1-CB 3.81Å; L526-A599 HydrophobicContact CG-CB 4.14Å; A599-L606 HydrophobicContact CB-CB 4.17Å; A599-L606 HydrophobicContact CB-CD2 4.28Å; A599-L606 PolarHBondContact O-N 2.98Å |
| 600 | V | 85.5 | Confident | 87.9 | Confident | 75 Ų | 75 | 52 Ų | 52 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 135.3 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | F588 P597 R604 V605 | F588-V600 HydrophobicContact CD2-CG1 4.25Å; F588-V600 HydrophobicContact CD2-CG2 4.43Å; F588-V600 HydrophobicContact CE2-CG1 3.73Å; F588-V600 HydrophobicContact CZ-CG1 4.39Å; P597-V600 HydrophobicContact CB-CG2 3.9Å; P597-V600 HydrophobicContact CG-CG2 3.3Å; V600-R604 WeakPolarHBondContact CA-O 3Å; V600-V605 HydrophobicContact CG1-CG1 4.24Å; V600-V605 HydrophobicContact CG2-CG1 4.19Å |
| 601 | D | 83.8 | Confident | 87.8 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 53% | 0.529 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 101.7 | 170.2 | -177.6 | 17.4 | 0 | 0 | 0 | 108.7 | L526 T603 R604 | L526-D601 HydrophobicContact CD1-CB 3.59Å; D601-T603 PolarHBondContact O-N 3.39Å; D601-R604 PolarHBondContact N-O 2.82Å; D601-R604 WeakPolarHBondContact O-CB 3.35Å; D601-R604 PolarHBondContact O-N 2.93Å |
| 602 | G | 82.4 | Confident | 87.5 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 58% | 0.577 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | -110.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 603 | T | 81.6 | Confident | 87.5 | Confident | 36 Ų | 36 | 53 Ų | 53 | 22% | 0.221 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -5.5 | 179.3 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | D574 L575 S576 L579 D601 | D574-T603 PolarHBondContact OD1-OG1 2.81Å; D574-T603 VanDerWaalsContact OD1-OG1 3.1Å; L575-T603 PolarHBondContact N-O 2.81Å; S576-T603 WeakPolarHBondContact OG-CB 3.32Å; S576-T603 PolarHBondContact OG-OG1 2.53Å; L579-T603 HydrophobicContact CD1-CG2 3.3Å; D601-T603 PolarHBondContact O-N 3.39Å |
| 604 | R | 86.8 | Confident | 87.7 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 18% | 0.181 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 131.6 | 177.6 | -61.1 | -170.5 | 71.7 | -154.7 | -1.8 | 110.8 | L526 A557 T558 V573 D574 V600 D601 | L526-R604 HydrophobicContact CD2-CB 4.26Å; L526-R604 PolarHBondContact O-NH1 2.82Å; A557-R604 PolarHBondContact O-NH2 3.27Å; T558-R604 PolarHBondContact O-NH2 3.12Å; V573-R604 WeakPolarHBondContact O-CA 3.5Å; D574-R604 HydrophobicContact CB-CG 3.92Å; V600-R604 WeakPolarHBondContact CA-O 3Å; D601-R604 PolarHBondContact N-O 2.82Å; D601-R604 WeakPolarHBondContact O-CB 3.35Å; D601-R604 PolarHBondContact O-N 2.93Å |
| 605 | V | 88.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.1 | -177.1 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | V572 V573 L575 F588 P597 V600 F607 | V572-V605 WeakPolarHBondContact CA-O 3.32Å; V573-V605 HydrophobicContact CG1-CG2 3.88Å; V573-V605 PolarHBondContact N-O 2.85Å; V573-V605 VanDerWaalsContact N-O 3.1Å; V573-V605 PolarHBondContact O-N 2.71Å; L575-V605 HydrophobicContact CD1-CG1 4.45Å; L575-V605 HydrophobicContact CD1-CG2 3.61Å; L575-V605 HydrophobicContact CG-CG2 4.27Å; F588-V605 HydrophobicContact CB-CG1 4.33Å; F588-V605 HydrophobicContact CD1-CG1 3.46Å; F588-V605 VanDerWaalsContact CD1-CG1 3.46Å; F588-V605 HydrophobicContact CD2-CG1 3.94Å; F588-V605 HydrophobicContact CE1-CG1 3.48Å; F588-V605 VanDerWaalsContact CE1-CG1 3.48Å; F588-V605 HydrophobicContact CE2-CG1 4.01Å; F588-V605 HydrophobicContact CG-CG1 3.67Å; F588-V605 HydrophobicContact CZ-CG1 3.77Å; P597-V605 HydrophobicContact CB-CB 4.28Å; V600-V605 HydrophobicContact CG1-CG1 4.24Å; V600-V605 HydrophobicContact CG2-CG1 4.19Å; V605-F607 HydrophobicContact CB-CD2 4.26Å; V605-F607 HydrophobicContact CB-CE2 4.03Å; V605-F607 HydrophobicContact CG2-CD2 3.97Å; V605-F607 HydrophobicContact CG2-CE2 3.79Å |
| 606 | L | 90.7 | Very high | 87.7 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.6 | 170.9 | 169.8 | 64.6 | 0 | 0 | 0 | 108.9 | I524 L526 T570 V571 V572 P597 K598 A599 | I524-L606 HydrophobicContact CG2-CD1 4.19Å; L526-L606 HydrophobicContact CD2-CB 3.99Å; T570-L606 HydrophobicContact CG2-CD1 3.81Å; V571-L606 WeakPolarHBondContact O-CA 3.28Å; V572-L606 HydrophobicContact CG2-CB 4.42Å; V572-L606 HydrophobicContact CG2-CD1 3.57Å; P597-L606 CarbonylContact C-O 3.59Å; P597-L606 WeakPolarHBondContact CA-O 3.46Å; P597-L606 WeakPolarHBondContact CB-O 3.42Å; K598-L606 HydrophobicContact CB-CD2 4.26Å; K598-L606 HydrophobicContact CB-CG 4.27Å; K598-L606 PolarHBondContact N-O 2.94Å; A599-L606 HydrophobicContact CB-CB 4.17Å; A599-L606 HydrophobicContact CB-CD2 4.28Å; A599-L606 PolarHBondContact O-N 2.98Å |
| 607 | F | 92.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 142.3 | 168 | -76.6 | -88.6 | 0 | 0 | 0 | 110 | T570 V571 F588 L590 V596 P597 V605 F609 I631 | T570-F607 CarbonylContact C-O 3.59Å; T570-F607 WeakPolarHBondContact CA-O 3.38Å; V571-F607 HydrophobicContact CG1-CB 3.76Å; V571-F607 PolarHBondContact N-O 2.85Å; V571-F607 PolarHBondContact O-N 3.44Å; F588-F607 HydrophobicContact CB-CE2 4.46Å; F588-F607 HydrophobicContact CB-CZ 4.13Å; L590-F607 HydrophobicContact CD1-CD1 3.91Å; L590-F607 HydrophobicContact CD1-CE1 4.33Å; L590-F607 HydrophobicContact CD2-CD1 4.03Å; L590-F607 HydrophobicContact CD2-CE1 4.16Å; L590-F607 HydrophobicContact CD2-CG 4.28Å; L590-F607 HydrophobicContact CG-CD1 3.74Å; L590-F607 HydrophobicContact CG-CE1 3.73Å; L590-F607 HydrophobicContact CG-CG 4.48Å; L590-F607 HydrophobicContact CG-CZ 4.47Å; V596-F607 VanDerWaalsContact C-CE1 3.43Å; P597-F607 HydrophobicContact CB-CD1 4.26Å; P597-F607 HydrophobicContact CB-CD2 4.16Å; P597-F607 HydrophobicContact CB-CE1 3.99Å; P597-F607 HydrophobicContact CB-CE2 3.87Å; P597-F607 HydrophobicContact CB-CG 4.36Å; P597-F607 HydrophobicContact CB-CZ 3.79Å; P597-F607 HydrophobicContact CG-CE1 4.42Å; P597-F607 HydrophobicContact CG-CE2 4.42Å; P597-F607 HydrophobicContact CG-CZ 4.05Å; P597-F607 VanDerWaalsContact N-CE1 3.25Å; V605-F607 HydrophobicContact CB-CD2 4.26Å; V605-F607 HydrophobicContact CB-CE2 4.03Å; V605-F607 HydrophobicContact CG2-CD2 3.97Å; V605-F607 HydrophobicContact CG2-CE2 3.79Å; F607-F609 HydrophobicContact CB-CD1 4.04Å; F607-F609 HydrophobicContact CB-CE1 4.09Å; F607-I631 HydrophobicContact CD2-CD1 4.06Å; F607-I631 HydrophobicContact CD2-CG1 4.23Å; F607-I631 HydrophobicContact CD2-CG2 4.39Å; F607-I631 HydrophobicContact CE2-CD1 4.37Å; F607-I631 HydrophobicContact CE2-CG1 4.24Å; F607-I631 HydrophobicContact CE2-CG2 3.64Å; F607-I631 HydrophobicContact CZ-CG2 4.18Å |
| 608 | S | 91.6 | Very high | 87.4 | Confident | 24 Ų | 24 | 43.7 Ų | 43.7 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 108.5 | 173.6 | 175.6 | 0 | 0 | 0 | 0 | 108 | M569 T570 K598 | M569-S608 VanDerWaalsContact O-CA 3.3Å; M569-S608 WeakPolarHBondContact O-CA 3.43Å; T570-S608 PolarHBondContact OG1-OG 2.8Å; T570-S608 VanDerWaalsContact OG1-OG 3.08Å; K598-S608 VanDerWaalsContact NZ-CB 3.33Å; K598-S608 PolarHBondContact NZ-OG 2.96Å |
| 609 | F | 91.1 | Very high | 87.3 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 150.8 | -169.9 | 58.9 | -83 | 0 | 0 | 0 | 111.8 | M569 L590 F607 C614 N629 V653 | M569-F609 HydrophobicContact CB-CE1 4.31Å; M569-F609 HydrophobicContact CB-CE2 4.2Å; M569-F609 HydrophobicContact CB-CZ 4.05Å; M569-F609 HydrophobicContact CG-CE1 4.29Å; M569-F609 HydrophobicContact CG-CZ 4.05Å; M569-F609 PolarHBondContact N-O 2.71Å; M569-F609 PolarHBondContact O-N 3.38Å; M569-F609 HydrophobicContact SD-CE1 4.08Å; M569-F609 HydrophobicContact SD-CE2 4.07Å; M569-F609 HydrophobicContact SD-CZ 3.39Å; M569-F609 WeakPolarHBondContact SD-CZ 3.49Å; L590-F609 HydrophobicContact CD1-CB 4.28Å; L590-F609 HydrophobicContact CD1-CD1 3.38Å; L590-F609 HydrophobicContact CD1-CD2 3.96Å; L590-F609 HydrophobicContact CD1-CE1 3.51Å; L590-F609 HydrophobicContact CD1-CE2 4.09Å; L590-F609 HydrophobicContact CD1-CG 3.61Å; L590-F609 HydrophobicContact CD1-CZ 3.85Å; L590-F609 HydrophobicContact CD2-CE1 4.04Å; L590-F609 HydrophobicContact CD2-CZ 4.26Å; L590-F609 HydrophobicContact CG-CE1 4.45Å; F607-F609 HydrophobicContact CB-CD1 4.04Å; F607-F609 HydrophobicContact CB-CE1 4.09Å; F609-C614 HydrophobicContact CD2-CB 4.13Å; F609-C614 HydrophobicContact CG-CB 4.47Å; F609-N629 HydrophobicContact CE2-CB 4.08Å; F609-N629 HydrophobicContact CZ-CB 3.93Å; F609-V653 HydrophobicContact CZ-CG2 4.39Å |
| 610 | P | 89.9 | Confident | 87 | Confident | 28 Ų | 28 | 45.9 Ų | 45.9 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 139.9 | 171.6 | -19.3 | 29 | 0 | 0 | 0 | 112.6 | G567 W568 H612 S613 | G567-P610 WeakPolarHBondContact O-CA 3.39Å; W568-P610 HydrophobicContact CD2-CG 4.39Å; W568-P610 HydrophobicContact CE3-CG 4.48Å; W568-P610 HydrophobicContact CH2-CG 4.02Å; W568-P610 HydrophobicContact CZ2-CG 3.91Å; W568-P610 HydrophobicContact CZ3-CG 4.3Å; P610-H612 VanDerWaalsContact CB-CE1 3.43Å; P610-H612 WeakPolarHBondContact CB-CE1 3.26Å; P610-H612 PolarHBondContact O-N 3.12Å; P610-H612 VanDerWaalsContact O-N 3.16Å; P610-S613 WeakPolarHBondContact CB-OG 3.26Å; P610-S613 VanDerWaalsContact CD-OG 3.29Å; P610-S613 WeakPolarHBondContact CD-OG 3.38Å; P610-S613 PolarHBondContact O-N 2.83Å; P610-S613 PolarHBondContact O-OG 3.37Å |
| 611 | L | 87.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.2 | -179.2 | -68.6 | 174.9 | 0 | 0 | 0 | 114.1 | G567 M569 S616 Y627 C655 Y657 F671 | G567-L611 WeakPolarHBondContact O-CG 3.48Å; G567-L611 PolarHBondContact O-N 3.17Å; M569-L611 HydrophobicContact CB-CD2 3.79Å; M569-L611 HydrophobicContact CE-CD2 3.79Å; L611-S616 WeakPolarHBondContact O-CB 3.37Å; L611-S616 PolarHBondContact O-OG 2.92Å; L611-Y627 HydrophobicContact CB-CD1 3.77Å; L611-Y627 HydrophobicContact CB-CD2 4.5Å; L611-Y627 HydrophobicContact CB-CE1 4.1Å; L611-Y627 HydrophobicContact CB-CG 3.99Å; L611-Y627 HydrophobicContact CD1-CD2 3.99Å; L611-Y627 HydrophobicContact CD1-CE2 4.29Å; L611-Y627 HydrophobicContact CD1-CG 4.22Å; L611-Y627 HydrophobicContact CD2-CG 4.09Å; L611-Y627 HydrophobicContact CG-CG 4.34Å; L611-Y627 WeakPolarHBondContact O-CD1 3.38Å; L611-C655 HydrophobicContact CD2-CB 4.07Å; L611-Y657 HydrophobicContact CD1-CD2 4.39Å; L611-Y657 HydrophobicContact CD1-CE2 3.44Å; L611-Y657 VanDerWaalsContact CD1-CE2 3.44Å; L611-F671 HydrophobicContact CD1-CD1 4.45Å; L611-F671 HydrophobicContact CD1-CD2 4.48Å; L611-F671 HydrophobicContact CD1-CE1 4.12Å; L611-F671 HydrophobicContact CD1-CE2 4.19Å; L611-F671 HydrophobicContact CD1-CZ 3.96Å |
| 612 | H | 83.1 | Confident | 86.6 | Confident | 116 Ų | 116 | 50.2 Ų | 50.2 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -1.3 | -179.8 | 63.3 | -86.6 | 0 | 0 | 0 | 113.3 | P610 | P610-H612 VanDerWaalsContact CB-CE1 3.43Å; P610-H612 WeakPolarHBondContact CB-CE1 3.26Å; P610-H612 PolarHBondContact O-N 3.12Å; P610-H612 VanDerWaalsContact O-N 3.16Å |
| 613 | S | 85.8 | Confident | 86.7 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -116.7 | -173.4 | -177.8 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | P610 G615 S616 | P610-S613 WeakPolarHBondContact CB-OG 3.26Å; P610-S613 VanDerWaalsContact CD-OG 3.29Å; P610-S613 WeakPolarHBondContact CD-OG 3.38Å; P610-S613 PolarHBondContact O-N 2.83Å; P610-S613 PolarHBondContact O-OG 3.37Å; S613-G615 PolarHBondContact O-N 3.4Å; S613-G615 VanDerWaalsContact O-N 3.1Å; S613-S616 WeakPolarHBondContact O-CB 3.37Å; S613-S616 PolarHBondContact O-N 3.47Å; S613-S616 VanDerWaalsContact O-N 3.09Å; S613-S616 PolarHBondContact O-OG 2.84Å |
| 614 | C | 88.2 | Confident | 86.9 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 9% | 0.088 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 24.7 | 174.1 | -62.1 | 0 | 0 | 0 | 0 | 116 | L590 N592 C595 F609 S616 N629 | L590-C614 HydrophobicContact CB-CB 4.25Å; L590-C614 HydrophobicContact CD1-CB 3.64Å; N592-C614 PolarHBondContact N-O 3.26Å; C595-C614 HydrophobicContact CB-CB 3.64Å; C595-C614 WeakPolarHBondContact CB-SG 3.32Å; C595-C614 WeakPolarHBondContact SG-CA 3.27Å; C595-C614 WeakPolarHBondContact SG-CB 3.44Å; C595-C614 CovalentContact SG-SG 2.04Å; C595-C614 PolarHBondContact SG-SG 2.85Å; F609-C614 HydrophobicContact CD2-CB 4.13Å; F609-C614 HydrophobicContact CG-CB 4.47Å; C614-S616 VanDerWaalsContact C-N 3.31Å; C614-N629 PolarHBondContact O-ND2 2.83Å |
| 615 | G | 85.9 | Confident | 86.9 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 19.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L591 S613 T617 | L591-G615 WeakPolarHBondContact CD2-O 3.47Å; S613-G615 PolarHBondContact O-N 3.4Å; S613-G615 VanDerWaalsContact O-N 3.1Å; G615-T617 PolarHBondContact O-N 2.81Å |
| 616 | S | 89.6 | Confident | 87 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 15% | 0.154 | 30% | 0.298 | C | S | . | . | trans | -59.7 | 128 | 177.7 | -58 | 0 | 0 | 0 | 0 | 111 | L611 S613 C614 N629 | L611-S616 WeakPolarHBondContact O-CB 3.37Å; L611-S616 PolarHBondContact O-OG 2.92Å; S613-S616 WeakPolarHBondContact O-CB 3.37Å; S613-S616 PolarHBondContact O-N 3.47Å; S613-S616 VanDerWaalsContact O-N 3.09Å; S613-S616 PolarHBondContact O-OG 2.84Å; C614-S616 VanDerWaalsContact C-N 3.31Å; S616-N629 PolarHBondContact N-ND2 3.47Å; S616-N629 PolarHBondContact OG-ND2 2.93Å | ||
| 617 | T | 87.6 | Confident | 86.9 | Confident | 65 Ų | 65 | 55 Ų | 55 | 40% | 0.399 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 140.4 | 177 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | L591 G615 Y627 Q628 | L591-T617 HydrophobicContact CD2-CG2 4.45Å; G615-T617 PolarHBondContact O-N 2.81Å; T617-Y627 CarbonylContact O-C 3.52Å; T617-Y627 WeakPolarHBondContact O-CA 3.39Å; T617-Q628 PolarHBondContact N-O 3.41Å; T617-Q628 PolarHBondContact O-N 2.83Å; T617-Q628 PolarHBondContact OG1-O 3.18Å |
| 618 | V | 86.4 | Confident | 86.9 | Confident | 68 Ų | 68 | 56 Ų | 56 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.8 | -178.3 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | L620 V625 T626 Y627 | V618-L620 HydrophobicContact CG1-CD1 4.21Å; V618-V625 HydrophobicContact CG1-CG2 3.38Å; V618-T626 CarbonylContact C-O 3.41Å; V618-T626 WeakPolarHBondContact CA-O 3.4Å; V618-Y627 HydrophobicContact CB-CE1 4.44Å; V618-Y627 HydrophobicContact CG1-CD1 4.45Å; V618-Y627 HydrophobicContact CG1-CE1 4.15Å; V618-Y627 HydrophobicContact CG2-CD1 3.57Å; V618-Y627 HydrophobicContact CG2-CE1 3.45Å; V618-Y627 VanDerWaalsContact CG2-CE1 3.45Å |
| 619 | K | 87.4 | Confident | 87 | Confident | 119 Ų | 119 | 55 Ų | 55 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 115.4 | 172.9 | -68.8 | 174.6 | 177.2 | 166.9 | 0 | 109 | T626 | K619-T626 PolarHBondContact N-O 2.84Å; K619-T626 PolarHBondContact O-N 2.79Å |
| 620 | L | 82.1 | Confident | 86.9 | Confident | 99 Ų | 99 | 57.5 Ų | 57.5 | 52% | 0.518 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.3 | 169.3 | -98.7 | 90.6 | 0 | 0 | 0 | 110.1 | V618 V625 L659 F666 | V618-L620 HydrophobicContact CG1-CD1 4.21Å; L620-V625 HydrophobicContact CD1-CG2 3.93Å; L620-V625 HydrophobicContact CG-CG2 4.24Å; L620-L659 HydrophobicContact CD2-CD2 4.4Å; L620-F666 HydrophobicContact CD1-CE1 3.98Å; L620-F666 HydrophobicContact CD1-CZ 3.66Å; L620-F666 HydrophobicContact CD2-CZ 4.13Å |
| 621 | A | 83.5 | Confident | 86.9 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | trans | -102.7 | 173.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | E623 N624 L659 | A621-E623 PolarHBondContact O-N 2.9Å; A621-N624 WeakPolarHBondContact CA-O 3.49Å; A621-N624 WeakPolarHBondContact CB-O 3.38Å; A621-N624 PolarHBondContact N-O 3.49Å; A621-L659 WeakPolarHBondContact O-CD1 3.45Å | ||
| 622 | K | 77 | Confident | 86.7 | Confident | 207 Ų | 207 | 57.7 Ų | 57.7 | 90% | 0.9 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -57.3 | -32.6 | -178.4 | -77.9 | -174.8 | 176.5 | -179.3 | 0 | 113.9 | ||
| 623 | E | 83.1 | Confident | 86.6 | Confident | 148 Ų | 148 | 52.4 Ų | 52.4 | 69% | 0.692 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -124.4 | -14.7 | -173 | -65.6 | 177.4 | 178.1 | 0 | 0 | 113.4 | A621 L659 | A621-E623 PolarHBondContact O-N 2.9Å; E623-L659 WeakPolarHBondContact O-CB 3.19Å; E623-L659 PolarHBondContact O-N 2.93Å |
| 624 | N | 86.6 | Confident | 86.1 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 153.6 | -173.2 | -61.7 | -34.8 | 0 | 0 | 0 | 111.5 | A621 T656 Y657 P658 | A621-N624 WeakPolarHBondContact CA-O 3.49Å; A621-N624 WeakPolarHBondContact CB-O 3.38Å; A621-N624 PolarHBondContact N-O 3.49Å; N624-T656 HydrophobicContact CB-CG2 3.76Å; N624-Y657 CarbonylContact C-O 3.44Å; N624-Y657 VanDerWaalsContact CA-O 3.22Å; N624-Y657 WeakPolarHBondContact CA-O 3.15Å; N624-P658 VanDerWaalsContact OD1-CA 3.32Å; N624-P658 WeakPolarHBondContact OD1-CA 3.36Å |
| 625 | V | 87.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.9 | 166.1 | 69.7 | 0 | 0 | 0 | 0 | 109.4 | V618 L620 Y627 T656 Y657 L659 L662 L665 | V618-V625 HydrophobicContact CG1-CG2 3.38Å; L620-V625 HydrophobicContact CD1-CG2 3.93Å; L620-V625 HydrophobicContact CG-CG2 4.24Å; V625-Y627 HydrophobicContact CG1-CD2 4.4Å; V625-Y627 HydrophobicContact CG1-CE2 3.77Å; V625-Y627 HydrophobicContact CG2-CE2 4Å; V625-T656 CarbonylContact O-C 3.52Å; V625-T656 WeakPolarHBondContact O-CA 3.46Å; V625-Y657 PolarHBondContact N-O 3.26Å; V625-Y657 PolarHBondContact O-N 3.07Å; V625-L659 HydrophobicContact CB-CD2 4.09Å; V625-L662 HydrophobicContact CB-CD1 4.42Å; V625-L662 HydrophobicContact CG1-CD1 3.37Å; V625-L665 HydrophobicContact CB-CD2 4.44Å; V625-L665 HydrophobicContact CG1-CD2 4.49Å |
| 626 | T | 89.4 | Confident | 84 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.6 | 178.1 | -51.4 | 0 | 0 | 0 | 0 | 109.8 | V618 K619 Q654 C655 | V618-T626 CarbonylContact C-O 3.41Å; V618-T626 WeakPolarHBondContact CA-O 3.4Å; K619-T626 PolarHBondContact N-O 2.84Å; K619-T626 PolarHBondContact O-N 2.79Å; T626-Q654 HydrophobicContact CG2-CB 4.05Å; T626-C655 CarbonylContact C-O 3.55Å; T626-C655 WeakPolarHBondContact CA-O 3.43Å |
| 627 | Y | 90.2 | Very high | 82.4 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.4 | 169.4 | -67.7 | -94.5 | 0 | 0 | 0 | 108.5 | L611 T617 V618 V625 Q654 C655 Y657 F671 | L611-Y627 HydrophobicContact CB-CD1 3.77Å; L611-Y627 HydrophobicContact CB-CD2 4.5Å; L611-Y627 HydrophobicContact CB-CE1 4.1Å; L611-Y627 HydrophobicContact CB-CG 3.99Å; L611-Y627 HydrophobicContact CD1-CD2 3.99Å; L611-Y627 HydrophobicContact CD1-CE2 4.29Å; L611-Y627 HydrophobicContact CD1-CG 4.22Å; L611-Y627 HydrophobicContact CD2-CG 4.09Å; L611-Y627 HydrophobicContact CG-CG 4.34Å; L611-Y627 WeakPolarHBondContact O-CD1 3.38Å; T617-Y627 CarbonylContact O-C 3.52Å; T617-Y627 WeakPolarHBondContact O-CA 3.39Å; V618-Y627 HydrophobicContact CB-CE1 4.44Å; V618-Y627 HydrophobicContact CG1-CD1 4.45Å; V618-Y627 HydrophobicContact CG1-CE1 4.15Å; V618-Y627 HydrophobicContact CG2-CD1 3.57Å; V618-Y627 HydrophobicContact CG2-CE1 3.45Å; V618-Y627 VanDerWaalsContact CG2-CE1 3.45Å; V625-Y627 HydrophobicContact CG1-CD2 4.4Å; V625-Y627 HydrophobicContact CG1-CE2 3.77Å; V625-Y627 HydrophobicContact CG2-CE2 4Å; Y627-Q654 CarbonylContact O-C 3.59Å; Y627-Q654 WeakPolarHBondContact O-CA 3.4Å; Y627-C655 PolarHBondContact N-O 2.86Å; Y627-C655 PolarHBondContact O-N 2.71Å; Y627-Y657 HydrophobicContact CD2-CD2 4.18Å; Y627-Y657 HydrophobicContact CD2-CE2 4.4Å; Y627-Y657 HydrophobicContact CE2-CD2 4.45Å; Y627-F671 HydrophobicContact CE2-CD2 4.34Å; Y627-F671 AromaticContact CE2-CE2 3.65Å; Y627-F671 HydrophobicContact CE2-CE2 3.65Å; Y627-F671 HydrophobicContact CE2-CZ 4.42Å; Y627-F671 AromaticContact CZ-CE2 3.9Å |
| 628 | Q | 92.4 | Very high | 80.6 | Confident | 25 Ų | 25 | 60 Ų | 60 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131.1 | -175.1 | -177.9 | -175.9 | -14 | 0 | 0 | 109.9 | T617 T652 V653 Q654 | T617-Q628 PolarHBondContact N-O 3.41Å; T617-Q628 PolarHBondContact O-N 2.83Å; T617-Q628 PolarHBondContact OG1-O 3.18Å; Q628-T652 HydrophobicContact CG-CG2 3.62Å; Q628-V653 WeakPolarHBondContact CA-O 3.44Å; Q628-Q654 HydrophobicContact CB-CB 4.36Å; Q628-Q654 HydrophobicContact CG-CB 4.42Å |
| 629 | N | 92.3 | Very high | 78.8 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 167.4 | 170.6 | -149.5 | -41.6 | 0 | 0 | 0 | 110 | L591 F609 C614 S616 V653 | L591-N629 WeakPolarHBondContact CB-OD1 3.31Å; L591-N629 PolarHBondContact N-OD1 2.85Å; L591-N629 VanDerWaalsContact N-OD1 3.15Å; F609-N629 HydrophobicContact CE2-CB 4.08Å; F609-N629 HydrophobicContact CZ-CB 3.93Å; C614-N629 PolarHBondContact O-ND2 2.83Å; S616-N629 PolarHBondContact N-ND2 3.47Å; S616-N629 PolarHBondContact OG-ND2 2.93Å; N629-V653 HydrophobicContact CB-CG2 4.1Å; N629-V653 PolarHBondContact N-O 3.36Å; N629-V653 PolarHBondContact O-N 2.89Å; N629-V653 VanDerWaalsContact O-O 3.13Å |
| 630 | K | 89.8 | Confident | 76.9 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.3 | 179.3 | -69.4 | 171.6 | 178.7 | 176.7 | 0 | 108.3 | L590 L591 Y632 M651 | L590-K630 CarbonylContact C-O 3.54Å; L590-K630 WeakPolarHBondContact CA-O 3.39Å; L591-K630 PolarHBondContact N-O 3Å; K630-Y632 HydrophobicContact CB-CD2 4.1Å; K630-Y632 HydrophobicContact CB-CE2 3.46Å; K630-Y632 VanDerWaalsContact CB-CE2 3.46Å; K630-Y632 HydrophobicContact CD-CE2 4.31Å; K630-Y632 WeakPolarHBondContact CD-OH 3.37Å; K630-Y632 WeakPolarHBondContact O-CD2 3.45Å; K630-M651 CarbonylContact C-O 3.55Å; K630-M651 WeakPolarHBondContact CA-O 3.41Å |
| 631 | I | 88.8 | Confident | 75 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 117.6 | 169.9 | -57.6 | 168.2 | 0 | 0 | 0 | 106.4 | V571 V573 L575 L590 F607 R650 M651 V653 | V571-I631 HydrophobicContact CG1-CD1 4.19Å; V573-I631 HydrophobicContact CG1-CD1 3.86Å; L575-I631 HydrophobicContact CD1-CG2 3.85Å; L590-I631 HydrophobicContact CD2-CG1 3.74Å; F607-I631 HydrophobicContact CD2-CD1 4.06Å; F607-I631 HydrophobicContact CD2-CG1 4.23Å; F607-I631 HydrophobicContact CD2-CG2 4.39Å; F607-I631 HydrophobicContact CE2-CD1 4.37Å; F607-I631 HydrophobicContact CE2-CG1 4.24Å; F607-I631 HydrophobicContact CE2-CG2 3.64Å; F607-I631 HydrophobicContact CZ-CG2 4.18Å; I631-R650 CarbonylContact O-C 3.6Å; I631-R650 WeakPolarHBondContact O-CA 3.38Å; I631-M651 PolarHBondContact N-O 2.95Å; I631-M651 PolarHBondContact O-N 2.81Å; I631-V653 HydrophobicContact CD1-CG1 3.82Å; I631-V653 HydrophobicContact CG1-CG1 4.44Å |
| 632 | Y | 84.5 | Confident | 72.8 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 12% | 0.122 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 144.5 | 178.5 | -71.2 | -89.3 | 0 | 0 | 0 | 110.6 | F588 H589 L591 K630 P648 R650 | F588-Y632 WeakPolarHBondContact CA-O 3.11Å; H589-Y632 PolarHBondContact N-O 2.94Å; H589-Y632 VanDerWaalsContact N-O 3.14Å; H589-Y632 PolarHBondContact O-N 2.87Å; L591-Y632 HydrophobicContact CB-CE2 4.33Å; L591-Y632 HydrophobicContact CD1-CE2 3.68Å; L591-Y632 WeakPolarHBondContact CD1-OH 3.44Å; K630-Y632 HydrophobicContact CB-CD2 4.1Å; K630-Y632 HydrophobicContact CB-CE2 3.46Å; K630-Y632 VanDerWaalsContact CB-CE2 3.46Å; K630-Y632 HydrophobicContact CD-CE2 4.31Å; K630-Y632 WeakPolarHBondContact CD-OH 3.37Å; K630-Y632 WeakPolarHBondContact O-CD2 3.45Å; Y632-P648 HydrophobicContact CD1-CB 4.12Å; Y632-P648 HydrophobicContact CD1-CG 3.79Å; Y632-P648 HydrophobicContact CE1-CG 3.92Å; Y632-R650 HydrophobicContact CD1-CB 4.12Å; Y632-R650 HydrophobicContact CE1-CB 4.21Å |
| 633 | L | 81.8 | Confident | 71.2 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 116.2 | 179.4 | -162.6 | 67.9 | 0 | 0 | 0 | 110.3 | L575 L579 P585 F588 H649 | L575-L633 HydrophobicContact CD1-CD1 4.49Å; L579-L633 HydrophobicContact CD1-CD2 3.87Å; L579-L633 HydrophobicContact CD2-CD2 3.31Å; L579-L633 HydrophobicContact CG-CD2 3.39Å; P585-L633 HydrophobicContact CB-CD1 3.18Å; P585-L633 HydrophobicContact CB-CD2 3.99Å; P585-L633 HydrophobicContact CB-CG 3.59Å; P585-L633 HydrophobicContact CG-CD1 3.88Å; P585-L633 HydrophobicContact CG-CG 4.49Å; F588-L633 HydrophobicContact CD1-CD1 3.09Å; F588-L633 HydrophobicContact CE1-CD1 2.97Å; F588-L633 HydrophobicContact CE1-CG 4.43Å; F588-L633 HydrophobicContact CE2-CD1 4.4Å; F588-L633 HydrophobicContact CG-CD1 3.93Å; F588-L633 HydrophobicContact CZ-CD1 3.7Å; L633-H649 PolarHBondContact N-O 3.1Å |
| 634 | D | 75.3 | Confident | 69.3 | Low | 41 Ų | 41 | 66.7 Ų | 66.7 | 22% | 0.219 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.6 | 173.3 | -61.4 | -35.3 | 0 | 0 | 0 | 109.4 | T586 R587 H589 | T586-D634 PolarHBondContact N-O 2.89Å; T586-D634 PolarHBondContact OG1-O 2.9Å; T586-D634 VanDerWaalsContact OG1-O 3.12Å; R587-D634 HydrophobicContact CB-CB 4.12Å; R587-D634 PolarHBondContact O-N 2.64Å; H589-D634 IonicContact CE1-OD1 3.19Å; H589-D634 PolarHBondContact CE1-OD1 2.95Å; H589-D634 IonicContact CE1-OD2 3.32Å; H589-D634 PolarHBondContact CE1-OD2 2.69Å; H589-D634 IonicContact ND1-OD2 3.11Å; H589-D634 PolarHBondContact ND1-OD2 3.49Å |
| 635 | T | 69.2 | Low | 67.5 | Low | 6 Ų | 6 | 69.1 Ų | 69.1 | 4% | 0.037 | 39% | 0.387 | C | S | . | . | trans | -110.1 | 162.1 | 170.9 | 65.1 | 0 | 0 | 0 | 0 | 109.1 | L579 E583 E637 N638 | L579-T635 HydrophobicContact CD2-CG2 4.35Å; E583-T635 VanDerWaalsContact OE2-CB 3.28Å; E583-T635 WeakPolarHBondContact OE2-CB 3.5Å; E583-T635 VanDerWaalsContact OE2-CG2 3.29Å; E583-T635 WeakPolarHBondContact OE2-CG2 3.39Å; E583-T635 PolarHBondContact OE2-OG1 2.81Å; T635-E637 PolarHBondContact O-N 2.98Å; T635-N638 PolarHBondContact O-N 3.19Å; T635-N638 VanDerWaalsContact O-N 3.12Å | ||
| 636 | S | 60.2 | Low | 65.8 | Low | 88 Ų | 88 | 73.2 Ų | 73.2 | 62% | 0.615 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -60.1 | -17.9 | -173.3 | 47.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 637 | E | 55.2 | Low | 64.2 | Low | 142 Ų | 142 | 75.3 Ų | 75.3 | 66% | 0.664 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -80.9 | -23.2 | 177.8 | -64.9 | -164.3 | 155.6 | 0 | 0 | 113.8 | T635 A639 | T635-E637 PolarHBondContact O-N 2.98Å; E637-A639 PolarHBondContact O-N 2.83Å |
| 638 | N | 50.8 | Low | 62.8 | Low | 54 Ų | 54 | 76.4 Ų | 76.4 | 29% | 0.289 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -79.8 | -0.7 | -178.6 | -70.2 | -27.4 | 0 | 0 | 0 | 114.1 | T635 | T635-N638 PolarHBondContact O-N 3.19Å; T635-N638 VanDerWaalsContact O-N 3.12Å |
| 639 | A | 47.2 | Very low | 61.7 | Low | 88 Ų | 88 | 78.4 Ų | 78.4 | 73% | 0.727 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -91.3 | -0.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E637 | E637-A639 PolarHBondContact O-N 2.83Š|
| 640 | V | 47.6 | Very low | 61.1 | Low | 124 Ų | 124 | 80.9 Ų | 80.9 | 75% | 0.752 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -103 | 110.7 | -180 | -173.3 | 0 | 0 | 0 | 0 | 110 | G642 | V640-G642 PolarHBondContact O-N 2.81Š|
| 641 | E | 42.5 | Very low | 60.9 | Low | 202 Ų | 202 | 78.3 Ų | 78.3 | 94% | 0.944 | 44% | 0.443 | S | S | * | . | trans | -65.8 | 112.2 | 177 | -74.5 | -174.9 | 152 | 0 | 0 | 111.5 | ||||
| 642 | G | 38.6 | Very low | 60.8 | Low | 61 Ų | 61 | 79 Ų | 79 | 63% | 0.629 | 45% | 0.447 | S | S | * | . | trans | -179.3 | 110.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V640 | V640-G642 PolarHBondContact O-N 2.81Š| ||
| 643 | F | 43.7 | Very low | 61.2 | Low | 216 Ų | 216 | 77.5 Ų | 77.5 | 95% | 0.947 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 27 | 99.5 | 166 | -84.9 | -97.5 | 0 | 0 | 0 | 118 | ||
| 644 | N | 42.7 | Very low | 61.7 | Low | 149 Ų | 149 | 78.6 Ų | 78.6 | 80% | 0.797 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 76.3 | 81.8 | -177.5 | -67.4 | -15.3 | 0 | 0 | 0 | 115 | ||
| 645 | P | 47.5 | Very low | 62.4 | Low | 115 Ų | 115 | 76.7 Ų | 76.7 | 75% | 0.747 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 135.7 | 170.3 | 25.2 | -31.4 | 0 | 0 | 0 | 109.8 | T647 | P645-T647 PolarHBondContact O-N 2.91Š|
| 646 | P | 53.1 | Low | 63.4 | Low | 85 Ų | 85 | 77.6 Ų | 77.6 | 55% | 0.552 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 140.8 | 166.6 | -18.8 | 29.6 | 0 | 0 | 0 | 108.7 | P648 | P646-P648 VanDerWaalsContact O-CD 3.23Å; P646-P648 WeakPolarHBondContact O-CD 3.42Å |
| 647 | T | 55.5 | Low | 64.6 | Low | 68 Ų | 68 | 73.4 Ų | 73.4 | 42% | 0.417 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 116.9 | 173.4 | 21.4 | 0 | 0 | 0 | 0 | 108.6 | P645 H649 E686 | P645-T647 PolarHBondContact O-N 2.91Å; T647-H649 PolarHBondContact O-N 2.9Å; T647-E686 PolarHBondContact OG1-OE1 2.84Å |
| 648 | P | 60.5 | Low | 65.9 | Low | 41 Ų | 41 | 68.7 Ų | 68.7 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 134.5 | -175.9 | 21.3 | -31.8 | 0 | 0 | 0 | 109.6 | Y632 P646 R650 | Y632-P648 HydrophobicContact CD1-CB 4.12Å; Y632-P648 HydrophobicContact CD1-CG 3.79Å; Y632-P648 HydrophobicContact CE1-CG 3.92Å; P646-P648 VanDerWaalsContact O-CD 3.23Å; P646-P648 WeakPolarHBondContact O-CD 3.42Å; P648-R650 PolarHBondContact O-N 2.81Å |
| 649 | H | 69.2 | Low | 67.2 | Low | 68 Ų | 68 | 68 Ų | 68 | 32% | 0.315 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 125.4 | 174.8 | -68 | 85.4 | 0 | 0 | 0 | 108.3 | V578 L633 T647 | V578-H649 HydrophobicContact CG1-CB 4.11Å; V578-H649 WeakPolarHBondContact O-CB 3.38Å; V578-H649 PolarHBondContact O-CD2 2.93Å; L633-H649 PolarHBondContact N-O 3.1Å; T647-H649 PolarHBondContact O-N 2.9Å |
| 650 | R | 79.3 | Confident | 68.5 | Low | 55 Ų | 55 | 70.8 Ų | 70.8 | 21% | 0.208 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 143.9 | -169.4 | 65.7 | -170.2 | -179.6 | -161 | -7.3 | 111.6 | I631 Y632 P648 F684 | I631-R650 CarbonylContact O-C 3.6Å; I631-R650 WeakPolarHBondContact O-CA 3.38Å; Y632-R650 HydrophobicContact CD1-CB 4.12Å; Y632-R650 HydrophobicContact CE1-CB 4.21Å; P648-R650 PolarHBondContact O-N 2.81Å; R650-F684 HydrophobicContact CG-CB 4.1Å; R650-F684 HydrophobicContact CG-CD1 4.46Å; R650-F684 HydrophobicContact CG-CG 4.13Å; R650-F684 VanDerWaalsContact NH2-CE2 3.33Å; R650-F684 WeakPolarHBondContact O-CB 3.32Å |
| 651 | M | 85.4 | Confident | 69.1 | Low | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.02 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.3 | 171.7 | -160.8 | 170.1 | -151.6 | 0 | 0 | 109.7 | V573 L575 K630 I631 I681 P683 | V573-M651 HydrophobicContact CB-SD 4.42Å; V573-M651 HydrophobicContact CG1-SD 4.32Å; V573-M651 HydrophobicContact CG2-CE 3.78Å; V573-M651 HydrophobicContact CG2-SD 3.33Å; V573-M651 WeakPolarHBondContact CG2-SD 3.46Å; L575-M651 HydrophobicContact CD2-CB 3.59Å; L575-M651 HydrophobicContact CD2-CG 4.23Å; L575-M651 HydrophobicContact CD2-SD 3.52Å; L575-M651 VanDerWaalsContact CD2-SD 3.52Å; K630-M651 CarbonylContact C-O 3.55Å; K630-M651 WeakPolarHBondContact CA-O 3.41Å; I631-M651 PolarHBondContact N-O 2.95Å; I631-M651 PolarHBondContact O-N 2.81Å; M651-I681 HydrophobicContact CE-CG2 3.31Å; M651-I681 HydrophobicContact CG-CG2 3.91Å; M651-I681 HydrophobicContact SD-CG2 3.5Å; M651-I681 VanDerWaalsContact SD-CG2 3.5Å; M651-P683 HydrophobicContact CE-CB 4.05Å |
| 652 | T | 88.2 | Confident | 70.4 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.8 | 179.3 | -67.1 | 0 | 0 | 0 | 0 | 109.6 | Q628 I682 | Q628-T652 HydrophobicContact CG-CG2 3.62Å; T652-I682 PolarHBondContact N-O 3.13Å; T652-I682 PolarHBondContact O-N 2.89Å |
| 653 | V | 91 | Very high | 71.5 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.3 | 173 | -65.6 | 0 | 0 | 0 | 0 | 109.1 | I561 M569 V571 F609 Q628 N629 I631 I681 | I561-V653 HydrophobicContact CD1-CB 4.27Å; M569-V653 HydrophobicContact SD-CB 4.01Å; M569-V653 HydrophobicContact SD-CG2 3.64Å; V571-V653 HydrophobicContact CG1-CG1 4.35Å; V571-V653 HydrophobicContact CG2-CG1 3.98Å; F609-V653 HydrophobicContact CZ-CG2 4.39Å; Q628-V653 WeakPolarHBondContact CA-O 3.44Å; N629-V653 HydrophobicContact CB-CG2 4.1Å; N629-V653 PolarHBondContact N-O 3.36Å; N629-V653 PolarHBondContact O-N 2.89Å; N629-V653 VanDerWaalsContact O-O 3.13Å; I631-V653 HydrophobicContact CD1-CG1 3.82Å; I631-V653 HydrophobicContact CG1-CG1 4.44Å; V653-I681 HydrophobicContact CG1-CG1 4.5Å; V653-I681 HydrophobicContact CG1-CG2 4.37Å |
| 654 | Q | 92.4 | Very high | 72.3 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 13% | 0.131 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 144.6 | -178.1 | 61.3 | 177.2 | 37.3 | 0 | 0 | 112.7 | T626 Y627 Q628 G679 R680 I682 | T626-Q654 HydrophobicContact CG2-CB 4.05Å; Y627-Q654 CarbonylContact O-C 3.59Å; Y627-Q654 WeakPolarHBondContact O-CA 3.4Å; Q628-Q654 HydrophobicContact CB-CB 4.36Å; Q628-Q654 HydrophobicContact CG-CB 4.42Å; Q654-G679 CarbonylContact O-C 3.48Å; Q654-G679 VanDerWaalsContact O-CA 3.27Å; Q654-G679 WeakPolarHBondContact O-CA 3.48Å; Q654-R680 HydrophobicContact CG-CB 3.69Å; Q654-R680 HydrophobicContact CG-CG 4.41Å; Q654-R680 WeakPolarHBondContact CG-O 3.39Å; Q654-R680 PolarHBondContact N-O 2.94Å; Q654-R680 PolarHBondContact O-N 3.15Å; Q654-I682 HydrophobicContact CG-CD1 4.34Å |
| 655 | C | 91.1 | Very high | 72.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.5 | 172.3 | -76.5 | 0 | 0 | 0 | 0 | 109 | C563 M569 L611 T626 Y627 Y657 | C563-C655 HydrophobicContact CB-CB 3.64Å; C563-C655 WeakPolarHBondContact CB-SG 3.29Å; C563-C655 WeakPolarHBondContact SG-CA 3.36Å; C563-C655 WeakPolarHBondContact SG-CB 3.48Å; C563-C655 CovalentContact SG-SG 2.01Å; C563-C655 PolarHBondContact SG-SG 2.88Å; M569-C655 HydrophobicContact CE-CB 3.61Å; M569-C655 WeakPolarHBondContact CE-SG 3.38Å; L611-C655 HydrophobicContact CD2-CB 4.07Å; T626-C655 CarbonylContact C-O 3.55Å; T626-C655 WeakPolarHBondContact CA-O 3.43Å; Y627-C655 PolarHBondContact N-O 2.86Å; Y627-C655 PolarHBondContact O-N 2.71Å; C655-Y657 HydrophobicContact CB-CD2 4.43Å; C655-Y657 HydrophobicContact CB-CE2 3.7Å |
| 656 | T | 89 | Confident | 73.1 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 16% | 0.16 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.8 | -178.6 | -50 | 0 | 0 | 0 | 0 | 110.3 | N624 V625 G677 V678 | N624-T656 HydrophobicContact CB-CG2 3.76Å; V625-T656 CarbonylContact O-C 3.52Å; V625-T656 WeakPolarHBondContact O-CA 3.46Å; T656-G677 CarbonylContact O-C 3.55Å; T656-G677 VanDerWaalsContact O-CA 3.26Å; T656-G677 WeakPolarHBondContact O-CA 3.24Å; T656-V678 PolarHBondContact N-O 2.95Å; T656-V678 PolarHBondContact O-N 3.21Å |
| 657 | Y | 85.8 | Confident | 73 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141.2 | 179.8 | -65.8 | -97.4 | 0 | 0 | 0 | 110.7 | C563 S564 L611 N624 V625 Y627 C655 F671 G677 | C563-Y657 WeakPolarHBondContact CA-OH 3.44Å; C563-Y657 HydrophobicContact CB-CE2 4.25Å; C563-Y657 WeakPolarHBondContact CB-OH 3.35Å; C563-Y657 PolarHBondContact O-OH 2.78Å; S564-Y657 PolarHBondContact N-OH 2.88Å; S564-Y657 PolarHBondContact O-OH 3.21Å; L611-Y657 HydrophobicContact CD1-CD2 4.39Å; L611-Y657 HydrophobicContact CD1-CE2 3.44Å; L611-Y657 VanDerWaalsContact CD1-CE2 3.44Å; N624-Y657 CarbonylContact C-O 3.44Å; N624-Y657 VanDerWaalsContact CA-O 3.22Å; N624-Y657 WeakPolarHBondContact CA-O 3.15Å; V625-Y657 PolarHBondContact N-O 3.26Å; V625-Y657 PolarHBondContact O-N 3.07Å; Y627-Y657 HydrophobicContact CD2-CD2 4.18Å; Y627-Y657 HydrophobicContact CD2-CE2 4.4Å; Y627-Y657 HydrophobicContact CE2-CD2 4.45Å; C655-Y657 HydrophobicContact CB-CD2 4.43Å; C655-Y657 HydrophobicContact CB-CE2 3.7Å; Y657-F671 HydrophobicContact CD1-CE1 4.29Å; Y657-F671 AromaticContact CD1-CZ 3.87Å; Y657-F671 HydrophobicContact CD1-CZ 3.87Å; Y657-F671 AromaticContact CD2-CZ 3.91Å; Y657-F671 HydrophobicContact CD2-CZ 3.91Å; Y657-F671 AromaticContact CE1-CE1 3.92Å; Y657-F671 HydrophobicContact CE1-CE1 3.92Å; Y657-F671 AromaticContact CE1-CZ 3.87Å; Y657-F671 HydrophobicContact CE1-CZ 3.87Å; Y657-F671 HydrophobicContact CE2-CE1 4.47Å; Y657-F671 AromaticContact CE2-CZ 3.93Å; Y657-F671 HydrophobicContact CE2-CZ 3.93Å; Y657-F671 AromaticContact CG-CZ 3.87Å; Y657-F671 HydrophobicContact CG-CZ 3.87Å; Y657-F671 AromaticContact CZ-CZ 3.9Å; Y657-G677 VanDerWaalsContact CE1-CA 3.44Å |
| 658 | P | 83.6 | Confident | 72.8 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 136 | 173 | 28.9 | -32.6 | 0 | 0 | 0 | 111.3 | N624 V660 G661 | N624-P658 VanDerWaalsContact OD1-CA 3.32Å; N624-P658 WeakPolarHBondContact OD1-CA 3.36Å; P658-V660 VanDerWaalsContact C-N 3.28Å; P658-V660 PolarHBondContact O-N 2.73Å; P658-G661 PolarHBondContact O-N 2.99Å |
| 659 | L | 78.2 | Confident | 72.5 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -64.6 | -33.7 | -178.8 | -74.1 | 173.5 | 0 | 0 | 0 | 112.7 | L620 A621 E623 V625 G661 L662 L665 | L620-L659 HydrophobicContact CD2-CD2 4.4Å; A621-L659 WeakPolarHBondContact O-CD1 3.45Å; E623-L659 WeakPolarHBondContact O-CB 3.19Å; E623-L659 PolarHBondContact O-N 2.93Å; V625-L659 HydrophobicContact CB-CD2 4.09Å; L659-G661 PolarHBondContact O-N 2.63Å; L659-L662 HydrophobicContact CD2-CD1 4.3Å; L659-L662 PolarHBondContact O-N 3.07Å; L659-L665 HydrophobicContact CD2-CD1 3.61Å; L659-L665 HydrophobicContact CD2-CD2 3.71Å; L659-L665 HydrophobicContact CD2-CG 4.3Å |
| 660 | V | 72.8 | Confident | 72.1 | Confident | 145 Ų | 145 | 63.1 Ų | 63.1 | 88% | 0.879 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -61.2 | -25.1 | -179.4 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | P658 | P658-V660 VanDerWaalsContact C-N 3.28Å; P658-V660 PolarHBondContact O-N 2.73Å |
| 661 | G | 61 | Low | 72 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -96.6 | -2.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | P658 L659 D674 | P658-G661 PolarHBondContact O-N 2.99Å; L659-G661 PolarHBondContact O-N 2.63Å; G661-D674 WeakPolarHBondContact CA-OD1 3.28Å; G661-D674 VanDerWaalsContact CA-OD2 3.24Å; G661-D674 WeakPolarHBondContact CA-OD2 3.47Å; G661-D674 VanDerWaalsContact O-CG 3.31Å; G661-D674 PolarHBondContact O-N 3.46Å |
| 662 | L | 70.3 | Confident | 71.4 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 9% | 0.094 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -94.7 | 108.5 | -174.6 | -72.6 | 165.2 | 0 | 0 | 0 | 110.9 | V625 L659 R664 L665 F671 | V625-L662 HydrophobicContact CB-CD1 4.42Å; V625-L662 HydrophobicContact CG1-CD1 3.37Å; L659-L662 HydrophobicContact CD2-CD1 4.3Å; L659-L662 PolarHBondContact O-N 3.07Å; L662-R664 VanDerWaalsContact C-N 3.29Å; L662-R664 PolarHBondContact O-N 3.4Å; L662-L665 HydrophobicContact CB-CD1 3.74Å; L662-L665 HydrophobicContact CB-CG 3.94Å; L662-L665 HydrophobicContact CD1-CD1 4Å; L662-L665 HydrophobicContact CD1-CD2 3.93Å; L662-L665 HydrophobicContact CD1-CG 3.89Å; L662-F671 HydrophobicContact CD2-CD2 4.33Å; L662-F671 HydrophobicContact CD2-CE1 4.15Å; L662-F671 HydrophobicContact CD2-CE2 3.45Å; L662-F671 VanDerWaalsContact CD2-CE2 3.45Å; L662-F671 HydrophobicContact CD2-CZ 3.37Å |
| 663 | H | 61.1 | Low | 70.9 | Confident | 136 Ų | 136 | 64.8 Ų | 64.8 | 63% | 0.63 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -67.8 | -28.5 | -179.4 | -69 | -65.7 | 0 | 0 | 0 | 113.3 | E672 | H663-E672 PolarHBondContact N-O 3.48Š|
| 664 | R | 60.4 | Low | 70 | Confident | 148 Ų | 148 | 68.7 Ų | 68.7 | 56% | 0.558 | 34% | 0.342 | S | S | * | . | trans | -144.4 | 91.3 | 177.8 | -67.9 | -174.1 | 179.7 | 178.8 | -0.8 | 110.7 | L662 | L662-R664 VanDerWaalsContact C-N 3.29Å; L662-R664 PolarHBondContact O-N 3.4Å | ||
| 665 | L | 53.1 | Low | 69.1 | Low | 52 Ų | 52 | 73.3 Ų | 73.3 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 128.4 | 160.6 | -82.9 | 132.6 | 0 | 0 | 0 | 108.4 | V625 L659 L662 | V625-L665 HydrophobicContact CB-CD2 4.44Å; V625-L665 HydrophobicContact CG1-CD2 4.49Å; L659-L665 HydrophobicContact CD2-CD1 3.61Å; L659-L665 HydrophobicContact CD2-CD2 3.71Å; L659-L665 HydrophobicContact CD2-CG 4.3Å; L662-L665 HydrophobicContact CB-CD1 3.74Å; L662-L665 HydrophobicContact CB-CG 3.94Å; L662-L665 HydrophobicContact CD1-CD1 4Å; L662-L665 HydrophobicContact CD1-CD2 3.93Å; L662-L665 HydrophobicContact CD1-CG 3.89Å |
| 666 | F | 54.4 | Low | 68.6 | Low | 151 Ų | 151 | 77.9 Ų | 77.9 | 66% | 0.662 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 17.8 | 170.2 | -41.4 | -72.5 | 0 | 0 | 0 | 119.2 | L620 | L620-F666 HydrophobicContact CD1-CE1 3.98Å; L620-F666 HydrophobicContact CD1-CZ 3.66Å; L620-F666 HydrophobicContact CD2-CZ 4.13Å |
| 667 | S | 51.4 | Low | 68.2 | Low | 54 Ų | 54 | 77.2 Ų | 77.2 | 38% | 0.378 | 38% | 0.381 | S | S | . | . | trans | -79.5 | 121.8 | 164.9 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | H669 K670 | S667-H669 PolarHBondContact O-N 3.47Å; S667-K670 PolarHBondContact O-N 3.41Å | ||
| 668 | I | 51 | Low | 68.2 | Low | 138 Ų | 138 | 81.5 Ų | 81.5 | 71% | 0.708 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -14.4 | -177 | -58.8 | 166.6 | 0 | 0 | 0 | 112.6 | ||
| 669 | H | 54.4 | Low | 68.3 | Low | 162 Ų | 162 | 80.6 Ų | 80.6 | 75% | 0.75 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.9 | -6.6 | -170.9 | -60.8 | 81.9 | 0 | 0 | 0 | 115.9 | S667 | S667-H669 PolarHBondContact O-N 3.47Š|
| 670 | K | 60.8 | Low | 68.7 | Low | 106 Ų | 106 | 85.9 Ų | 85.9 | 46% | 0.461 | 42% | 0.422 | S | S | . | . | trans | -157 | 114 | -179.6 | -154.9 | -177.2 | -175.3 | -142.2 | 0 | 112.6 | S667 E672 | S667-K670 PolarHBondContact O-N 3.41Å; K670-E672 IonicContact NZ-OE1 3Å; K670-E672 IonicContact NZ-OE2 2.69Å; K670-E672 PolarHBondContact NZ-OE2 2.9Å | ||
| 671 | F | 75.9 | Confident | 69.3 | Low | 21 Ų | 21 | 80.5 Ų | 80.5 | 9% | 0.092 | 39% | 0.388 | C | S | . | . | trans | -93.3 | 133.3 | 165.7 | 178.5 | -80.9 | 0 | 0 | 0 | 109 | L611 Y627 Y657 L662 | L611-F671 HydrophobicContact CD1-CD1 4.45Å; L611-F671 HydrophobicContact CD1-CD2 4.48Å; L611-F671 HydrophobicContact CD1-CE1 4.12Å; L611-F671 HydrophobicContact CD1-CE2 4.19Å; L611-F671 HydrophobicContact CD1-CZ 3.96Å; Y627-F671 HydrophobicContact CE2-CD2 4.34Å; Y627-F671 AromaticContact CE2-CE2 3.65Å; Y627-F671 HydrophobicContact CE2-CE2 3.65Å; Y627-F671 HydrophobicContact CE2-CZ 4.42Å; Y627-F671 AromaticContact CZ-CE2 3.9Å; Y657-F671 HydrophobicContact CD1-CE1 4.29Å; Y657-F671 AromaticContact CD1-CZ 3.87Å; Y657-F671 HydrophobicContact CD1-CZ 3.87Å; Y657-F671 AromaticContact CD2-CZ 3.91Å; Y657-F671 HydrophobicContact CD2-CZ 3.91Å; Y657-F671 AromaticContact CE1-CE1 3.92Å; Y657-F671 HydrophobicContact CE1-CE1 3.92Å; Y657-F671 AromaticContact CE1-CZ 3.87Å; Y657-F671 HydrophobicContact CE1-CZ 3.87Å; Y657-F671 HydrophobicContact CE2-CE1 4.47Å; Y657-F671 AromaticContact CE2-CZ 3.93Å; Y657-F671 HydrophobicContact CE2-CZ 3.93Å; Y657-F671 AromaticContact CG-CZ 3.87Å; Y657-F671 HydrophobicContact CG-CZ 3.87Å; Y657-F671 AromaticContact CZ-CZ 3.9Å; L662-F671 HydrophobicContact CD2-CD2 4.33Å; L662-F671 HydrophobicContact CD2-CE1 4.15Å; L662-F671 HydrophobicContact CD2-CE2 3.45Å; L662-F671 VanDerWaalsContact CD2-CE2 3.45Å; L662-F671 HydrophobicContact CD2-CZ 3.37Å | ||
| 672 | E | 73.3 | Confident | 70.4 | Confident | 81 Ų | 81 | 83.7 Ų | 83.7 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | trans | -148.9 | 121.6 | 178.8 | -165.1 | 160.6 | -162 | 0 | 0 | 109 | H663 K670 | H663-E672 PolarHBondContact N-O 3.48Å; K670-E672 IonicContact NZ-OE1 3Å; K670-E672 IonicContact NZ-OE2 2.69Å; K670-E672 PolarHBondContact NZ-OE2 2.9Å | ||
| 673 | S | 78.4 | Confident | 70.7 | Confident | 7 Ų | 7 | 86 Ų | 86 | 5% | 0.049 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -120.7 | 141.8 | -179.7 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | T565 K675 | T565-S673 VanDerWaalsContact CB-O 3.23Å; T565-S673 WeakPolarHBondContact CB-O 3.44Å; T565-S673 WeakPolarHBondContact CG2-O 3.34Å; T565-S673 PolarHBondContact O-N 3.21Å; S673-K675 VanDerWaalsContact C-N 3.28Å; S673-K675 WeakPolarHBondContact CB-O 3.28Å; S673-K675 PolarHBondContact OG-N 2.79Å; S673-K675 PolarHBondContact OG-O 2.91Å |
| 674 | D | 72 | Confident | 70.9 | Confident | 83 Ų | 83 | 83 Ų | 83 | 44% | 0.444 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -67.7 | -27.8 | 172.6 | 65.8 | -13.1 | 0 | 0 | 0 | 112.7 | G661 | G661-D674 WeakPolarHBondContact CA-OD1 3.28Å; G661-D674 VanDerWaalsContact CA-OD2 3.24Å; G661-D674 WeakPolarHBondContact CA-OD2 3.47Å; G661-D674 VanDerWaalsContact O-CG 3.31Å; G661-D674 PolarHBondContact O-N 3.46Å |
| 675 | K | 72.1 | Confident | 70.6 | Confident | 125 Ų | 125 | 81.6 Ų | 81.6 | 54% | 0.543 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -127.2 | 151 | -177.6 | -66.6 | -175.8 | -179.5 | -173.9 | 0 | 112.4 | T565 S673 | T565-K675 VanDerWaalsContact CG2-C 3.47Å; S673-K675 VanDerWaalsContact C-N 3.28Å; S673-K675 WeakPolarHBondContact CB-O 3.28Å; S673-K675 PolarHBondContact OG-N 2.79Å; S673-K675 PolarHBondContact OG-O 2.91Å |
| 676 | E | 80.8 | Confident | 70.1 | Confident | 95 Ų | 95 | 85.2 Ų | 85.2 | 44% | 0.444 | 43% | 0.428 | S | S | . | . | trans | -64.3 | 147.1 | 171.2 | -66 | -174.6 | 163 | 0 | 0 | 110.9 | T565 | T565-E676 HydrophobicContact CG2-CG 4.06Š| ||
| 677 | G | 82.1 | Confident | 68.9 | Low | 13 Ų | 13 | 84.8 Ų | 84.8 | 13% | 0.134 | 44% | 0.438 | C | S | . | . | B | Isolated β-bridge | trans | -82.1 | 156.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C563 T656 Y657 G679 | C563-G677 WeakPolarHBondContact CB-O 3.42Å; C563-G677 PolarHBondContact O-N 3.26Å; T656-G677 CarbonylContact O-C 3.55Å; T656-G677 VanDerWaalsContact O-CA 3.26Å; T656-G677 WeakPolarHBondContact O-CA 3.24Å; Y657-G677 VanDerWaalsContact CE1-CA 3.44Å; G677-G679 PolarHBondContact O-N 3.35Å |
| 678 | V | 84.6 | Confident | 67.9 | Low | 90 Ų | 90 | 88.3 Ų | 88.3 | 55% | 0.545 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.4 | 172.8 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | T656 | T656-V678 PolarHBondContact N-O 2.95Å; T656-V678 PolarHBondContact O-N 3.21Å |
| 679 | G | 85.8 | Confident | 67 | Low | 23 Ų | 23 | 91.9 Ų | 91.9 | 24% | 0.237 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 141.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | C563 Q654 G677 | C563-G679 WeakPolarHBondContact SG-CA 3.41Å; C563-G679 PolarHBondContact SG-N 2.88Å; Q654-G679 CarbonylContact O-C 3.48Å; Q654-G679 VanDerWaalsContact O-CA 3.27Å; Q654-G679 WeakPolarHBondContact O-CA 3.48Å; G677-G679 PolarHBondContact O-N 3.35Å |
| 680 | R | 86.8 | Confident | 65.7 | Low | 151 Ų | 151 | 88.8 Ų | 88.8 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 141.6 | 164.4 | -54.1 | -168.7 | -176.7 | 171.1 | -6 | 111.2 | Q654 I682 | Q654-R680 HydrophobicContact CG-CB 3.69Å; Q654-R680 HydrophobicContact CG-CG 4.41Å; Q654-R680 WeakPolarHBondContact CG-O 3.39Å; Q654-R680 PolarHBondContact N-O 2.94Å; Q654-R680 PolarHBondContact O-N 3.15Å; R680-I682 HydrophobicContact CB-CG1 4.44Å |
| 681 | I | 86.3 | Confident | 64 | Low | 32 Ų | 32 | 89.9 Ų | 89.9 | 16% | 0.164 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128.5 | 170 | -51.3 | 176.8 | 0 | 0 | 0 | 106.6 | E559 I561 V571 V573 M651 V653 | E559-I681 HydrophobicContact CB-CD1 4.09Å; I561-I681 HydrophobicContact CB-CD1 4.16Å; I561-I681 HydrophobicContact CB-CG1 3.98Å; I561-I681 HydrophobicContact CD1-CG1 4.07Å; I561-I681 HydrophobicContact CG2-CD1 4.36Å; I561-I681 HydrophobicContact CG2-CG1 4.01Å; V571-I681 HydrophobicContact CG2-CD1 3.78Å; V571-I681 HydrophobicContact CG2-CG1 4.15Å; V573-I681 HydrophobicContact CB-CD1 4.25Å; V573-I681 HydrophobicContact CG2-CD1 4.14Å; V573-I681 HydrophobicContact CG2-CG2 3.84Å; M651-I681 HydrophobicContact CE-CG2 3.31Å; M651-I681 HydrophobicContact CG-CG2 3.91Å; M651-I681 HydrophobicContact SD-CG2 3.5Å; M651-I681 VanDerWaalsContact SD-CG2 3.5Å; V653-I681 HydrophobicContact CG1-CG1 4.5Å; V653-I681 HydrophobicContact CG1-CG2 4.37Å |
| 682 | I | 84.3 | Confident | 61.8 | Low | 71 Ų | 71 | 97.9 Ų | 97.9 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 109.7 | -173.8 | -55.2 | 171.9 | 0 | 0 | 0 | 108 | T652 Q654 R680 | T652-I682 PolarHBondContact N-O 3.13Å; T652-I682 PolarHBondContact O-N 2.89Å; Q654-I682 HydrophobicContact CG-CD1 4.34Å; R680-I682 HydrophobicContact CB-CG1 4.44Å |
| 683 | P | 76.2 | Confident | 59.7 | Low | 68 Ų | 68 | 100.1 Ų | 100.1 | 44% | 0.442 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 143.5 | 174 | 27 | -31.6 | 0 | 0 | 0 | 110.7 | V578 M651 | V578-P683 HydrophobicContact CG2-CB 4.46Å; M651-P683 HydrophobicContact CE-CB 4.05Å |
| 684 | F | 64.3 | Low | 57.7 | Low | 73 Ų | 73 | 106 Ų | 106 | 32% | 0.32 | 58% | 0.584 | S | S | . | * | trans | -87.8 | 119.1 | 172.3 | -175.9 | -103.2 | 0 | 0 | 0 | 109.2 | R650 E686 | R650-F684 HydrophobicContact CG-CB 4.1Å; R650-F684 HydrophobicContact CG-CD1 4.46Å; R650-F684 HydrophobicContact CG-CG 4.13Å; R650-F684 VanDerWaalsContact NH2-CE2 3.33Å; R650-F684 WeakPolarHBondContact O-CB 3.32Å; F684-E686 HydrophobicContact CE1-CG 4.05Å | ||
| 685 | V | 55.1 | Low | 55.5 | Low | 117 Ų | 117 | 106.9 Ų | 106.9 | 71% | 0.709 | 60% | 0.602 | S | S | * | * | trans | -112.4 | 121.2 | 174.1 | -174 | 0 | 0 | 0 | 0 | 108.1 | T687 | V685-T687 PolarHBondContact O-N 2.88Š| ||
| 686 | E | 41.9 | Very low | 53.4 | Low | 129 Ų | 129 | 110.4 Ų | 110.4 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | trans | -66 | 118.8 | 174.3 | -109.1 | 176.8 | -169.3 | 0 | 0 | 110.2 | T647 F684 T688 | T647-E686 PolarHBondContact OG1-OE1 2.84Å; F684-E686 HydrophobicContact CE1-CG 4.05Å; E686-T688 PolarHBondContact O-N 3.4Å | ||
| 687 | T | 30 | Very low | 50.8 | Low | 141 Ų | 141 | 115.1 Ų | 115.1 | 87% | 0.865 | 64% | 0.642 | S | S | * | * | trans | -82.4 | 98.8 | 175.3 | -2.3 | 0 | 0 | 0 | 0 | 108.4 | V685 K689 | V685-T687 PolarHBondContact O-N 2.88Å; T687-K689 PolarHBondContact O-N 3.47Å | ||
| 688 | T | 29.9 | Very low | 48.2 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -63.6 | 130.7 | 167.7 | 28.4 | 0 | 0 | 0 | 0 | 109.6 | E686 A690 | E686-T688 PolarHBondContact O-N 3.4Å; T688-A690 PolarHBondContact O-N 3.02Å | ||
| 689 | K | 32.1 | Very low | 45.5 | Very low | 212 Ų | 212 | 122.9 Ų | 122.9 | 92% | 0.922 | 69% | 0.687 | S | S | * | * | trans | -55.8 | 108.5 | 179 | -74.9 | 177.4 | 176.3 | 174.7 | 0 | 110.7 | T687 | T687-K689 PolarHBondContact O-N 3.47Š| ||
| 690 | A | 26.1 | Very low | 42.7 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 118 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T688 | T688-A690 PolarHBondContact O-N 3.02Š|
| 691 | T | 25.7 | Very low | 39.9 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 127.9 | 173.2 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | T693 | T691-T693 PolarHBondContact O-N 3.19Š|
| 692 | M | 30.9 | Very low | 37 | Very low | 189 Ų | 189 | 131.1 Ų | 131.1 | 93% | 0.931 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 122 | 168.9 | -72.8 | 178 | 77.1 | 0 | 0 | 110.3 | ||
| 693 | T | 27.5 | Very low | 34.3 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -135.7 | 138.4 | 152.7 | 17.1 | 0 | 0 | 0 | 0 | 109 | T691 | T691-T693 PolarHBondContact O-N 3.19Š| ||
| 694 | P | 36.8 | Very low | 31.8 | Very low | 131 Ų | 131 | 145 Ų | 145 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -87.6 | 135.5 | -168.6 | 33.2 | -31.3 | 0 | 0 | 0 | 111.7 | ||||
| 695 | A | 25.8 | Very low | 30 | Very low | 100 Ų | 100 | 148.7 Ų | 148.7 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -129.4 | 104.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 696 | K | 27.8 | Very low | 28.7 | Very low | 200 Ų | 200 | 154.1 Ų | 154.1 | 87% | 0.87 | 84% | 0.839 | S | S | * | * | trans | 25.5 | 113.3 | 147.6 | -73.4 | 174.8 | 174.6 | 176.4 | 0 | 119.1 | T698 | K696-T698 PolarHBondContact O-N 3.27Š| ||
| 697 | M | 27.7 | Very low | 28.1 | Very low | 193 Ų | 193 | 152.7 Ų | 152.7 | 95% | 0.951 | 84% | 0.843 | S | S | * | * | trans | -53 | 128.6 | 151.3 | -76.6 | 174.3 | 171.5 | 0 | 0 | 110.6 | ||||
| 698 | T | 27.5 | Very low | 28.2 | Very low | 134 Ų | 134 | 152.5 Ų | 152.5 | 82% | 0.822 | 84% | 0.844 | S | S | * | * | trans | -119.2 | 116 | 158.4 | -34.5 | 0 | 0 | 0 | 0 | 108 | K696 | K696-T698 PolarHBondContact O-N 3.27Š| ||
| 699 | T | 26.6 | Very low | 28.1 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | trans | -66.1 | 130.7 | 176.4 | 12.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 700 | I | 26.9 | Very low | 27.8 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | trans | -132.8 | 119.1 | 147.7 | -61.3 | -178.1 | 0 | 0 | 0 | 107.6 | ||||
| 701 | A | 27.6 | Very low | 27.8 | Very low | 86 Ų | 86 | 151.3 Ų | 151.3 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 156.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 702 | P | 26.6 | Very low | 27.9 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 141.4 | -174.5 | 34.1 | -31.7 | 0 | 0 | 0 | 112.3 | ||
| 703 | Q | 26.6 | Very low | 27.9 | Very low | 203 Ų | 203 | 147.9 Ų | 147.9 | 95% | 0.949 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 117.5 | 163.3 | -94.8 | -179.2 | -29.7 | 0 | 0 | 110.5 | ||
| 704 | R | 25.2 | Very low | 28 | Very low | 228 Ų | 228 | 147.7 Ų | 147.7 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 138.6 | 167.3 | -85.8 | 174.8 | 164.4 | 172.5 | -4 | 110 | ||
| 705 | T | 25.7 | Very low | 27.6 | Very low | 150 Ų | 150 | 147 Ų | 147 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -126 | 129.9 | 142.5 | 30.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 706 | R | 27.8 | Very low | 27.9 | Very low | 232 Ų | 232 | 152.8 Ų | 152.8 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 136.4 | -164.7 | -125.9 | 173.2 | 173.4 | 174.8 | -4.7 | 110.6 | ||
| 707 | S | 29.6 | Very low | 28.1 | Very low | 98 Ų | 98 | 149.1 Ų | 149.1 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 152.7 | 151.8 | 38.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 708 | P | 30.8 | Very low | 28.1 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 142.5 | 161.7 | 19.6 | -5 | 0 | 0 | 0 | 110.4 | ||
| 709 | S | 27.9 | Very low | 28 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | -129.4 | 155.2 | -178 | 45.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 710 | L | 26.2 | Very low | 28.1 | Very low | 167 Ų | 167 | 150 Ų | 150 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -152.2 | 99.4 | 157.9 | -96.2 | 134.3 | 0 | 0 | 0 | 105.5 | ||||
| 711 | H | 26.3 | Very low | 28.1 | Very low | 153 Ų | 153 | 152.4 Ų | 152.4 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | 65.3 | 132.9 | 89.6 | -78.3 | -51 | 0 | 0 | 0 | 113.3 | |||||
| 712 | L | 28.1 | Very low | 28 | Very low | 141 Ų | 141 | 156.3 Ų | 156.3 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | cis | -176.5 | -171.1 | 15 | -110.9 | 151.4 | 0 | 0 | 0 | 105.6 | ||||
| 713 | P | 30.6 | Very low | 27.9 | Very low | 105 Ų | 105 | 158.3 Ų | 158.3 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | -117.7 | 178.4 | -59.1 | 23.7 | -1.8 | 0 | 0 | 0 | 113.8 | |||||
| 714 | P | 30.2 | Very low | 28 | Very low | 124 Ų | 124 | 154.7 Ų | 154.7 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -94.5 | 143.4 | 174.3 | 35.6 | -29.3 | 0 | 0 | 0 | 113.3 | ||||
| 715 | S | 29 | Very low | 28 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -124.4 | 121.3 | 171.8 | 60.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 716 | Y | 31.2 | Very low | 28 | Very low | 221 Ų | 221 | 157.4 Ų | 157.4 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -70.5 | 160.9 | 166.8 | -71.9 | -89.3 | 0 | 0 | 0 | 111.7 | ||||
| 717 | P | 31.3 | Very low | 28 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | trans | -125.2 | 151.6 | 138.1 | 29 | -14.1 | 0 | 0 | 0 | 114.1 | ||||
| 718 | T | 27.5 | Very low | 28.1 | Very low | 138 Ų | 138 | 155.3 Ų | 155.3 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -80.2 | 157.3 | -170 | 40.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 719 | A | 27.1 | Very low | 28.1 | Very low | 90 Ų | 90 | 155.2 Ų | 155.2 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | -61 | 152.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 720 | R | 27.6 | Very low | 28.3 | Very low | 250 Ų | 250 | 159.6 Ų | 159.6 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | trans | -139.9 | 131.5 | 154.4 | -81.5 | -171.2 | 175 | -179.3 | -0.6 | 110.3 | ||||
| 721 | Y | 26.5 | Very low | 29.2 | Very low | 219 Ų | 219 | 157.2 Ų | 157.2 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -77.3 | 158.5 | 168.5 | -73.2 | -95.4 | 0 | 0 | 0 | 111.3 | ||||
| 722 | I | 25.4 | Very low | 29.7 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | trans | -169.7 | 131.3 | 132.1 | -88.5 | 147.1 | 0 | 0 | 0 | 112.4 | ||||
| 723 | K | 24.4 | Very low | 30 | Very low | 165 Ų | 165 | 160.1 Ų | 160.1 | 72% | 0.717 | 82% | 0.822 | S | S | * | * | trans | 15.9 | 139.5 | 159.6 | -77.9 | 179.9 | 169.8 | -177.3 | 0 | 125.7 | Y725 | K723-Y725 HydrophobicContact CD-CE2 4.07Š| ||
| 724 | V | 28.9 | Very low | 30 | Very low | 127 Ų | 127 | 162.9 Ų | 162.9 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | trans | -85.1 | 146 | 157.8 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 725 | Y | 25 | Very low | 30 | Very low | 202 Ų | 202 | 164.9 Ų | 164.9 | 79% | 0.792 | 83% | 0.83 | S | S | * | * | trans | -137.1 | 153.5 | 145.3 | -80.7 | -78.2 | 0 | 0 | 0 | 110.9 | K723 | K723-Y725 HydrophobicContact CD-CE2 4.07Š| ||
| 726 | R | 26.7 | Very low | 30.1 | Very low | 233 Ų | 233 | 167.7 Ų | 167.7 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | trans | -115 | 166 | -167.3 | -154.5 | -172.2 | -160.5 | -174 | 6.4 | 110 | ||||
| 727 | V | 28.2 | Very low | 30 | Very low | 105 Ų | 105 | 164.5 Ų | 164.5 | 64% | 0.636 | 83% | 0.829 | S | S | * | * | trans | 88.7 | 112.1 | 153.3 | -141.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 728 | H | 31.1 | Very low | 29.9 | Very low | 181 Ų | 181 | 167.1 Ų | 167.1 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | -176.3 | 154.1 | 101.3 | -101.5 | 71.7 | 0 | 0 | 0 | 114.7 | |||||
| 729 | N | 30.5 | Very low | 30.1 | Very low | 136 Ų | 136 | 169 Ų | 169 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -76.2 | 152 | -172 | -94.8 | -32.3 | 0 | 0 | 0 | 115.3 | ||||
| 730 | K | 32.5 | Very low | 30.3 | Very low | 187 Ų | 187 | 174.6 Ų | 174.6 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | 72.3 | 167.2 | 141.6 | -76.6 | -171.5 | 179 | -172.6 | 0 | 119.5 | ||||
| 731 | P | 45.4 | Very low | 30.5 | Very low | 117 Ų | 117 | 168.8 Ų | 168.8 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | -138.3 | 169.3 | -53.4 | 39.5 | -22.5 | 0 | 0 | 0 | 113.2 | |||||
| 732 | G | 36.2 | Very low | 30.8 | Very low | 78 Ų | 78 | 164.7 Ų | 164.7 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | 88.2 | 112 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 733 | Q | 35.7 | Very low | 31.3 | Very low | 277 Ų | 277 | 164.4 Ų | 164.4 | 100% | 1.294 | 82% | 0.821 | S | S | * | * | -161.8 | 0 | 87.9 | -129.3 | 171.9 | 6.3 | 0 | 0 | 109.1 |
Retrieved 733 of 733 residues in 1025.4 ms
(Link to these results)